The Patent Chemistry Database is part of the CrossFire Database Suite. The suite represents a unique, deeply indexed source of experimental data in organic, inorganic and organometallic chemistry.

The Patent Chemistry Database (PCD) indexes reactions, experimental reaction text and substance related information from English language organic chemistry and life science patent documents published since 1976. PCD complements CrossFire Beilstein, which covers patent literature from 1876 until 1980. PCD indexes one million prophetic compounds, information rarely covered in other databases, and offers an easy-to-read, expanded Markush structure display and claims text.

Highlights: Patent Chemistry Database

• provides the full experimental reaction text from the patent document in addition to the structure-searchable reaction scheme and reaction details
• indexes not only claimed reactions from process patents, but also cited reactions from substance and application patents
• excerpts not only specific ("real") substances with data, but also "prophetic compounds" rarely covered elsewhere
• contains substances with their experimental bioactivity data* (e.g. IC/EC50-, K_i / K_d -values) and allows exporting them to create structure activity relationship tables using CrossFire Commander.
• provides experimental physical substance data, especially spectral data values (e.g. NMR, UV, IR, MS)
• displays the claims texts together with the Markush* structures and Markush* reactions to make relevance check easier
• links specific compounds (real and prophetics) and the corresponding related Markush structure together to form a Markush Family *, giving an overview of the substances claimed.
• "Compound Identifier in Patent" and "Location in Patent" make it easy to find substances and data in the patent full-text.

Note: * Available from patent publications published beginning December 2003

PCD is updated on a bi-weekly basis.

Overview of the Patent Chemistry Database coverage

Covered International Patent Classes [IPC]

• C07 Organic Chemistry*
• A61K Drugs [Medicinal, Dental, Cosmetic Preparations]
• A01N Biocides [Agrochemicals, Disinfectants, etc.]
• C09B Dyes

More effective synthesis planning

The Patent Chemistry Database contains 3 million structure-searchable reactions from patent documents since 1976. By providing access to patent reaction data in an easy-to-search format interlinked to other important information source, the Patent Chemistry Database helps you develop effective synthesis plans based on a wider view of known chemistry.

• In addition to standard reaction data fields, almost all reactions have the full experimental section from the patent text supplying you with crucial details about the reaction process.
• Reactions are indexed with InfoChem ClassCodes, which enables you to cluster similar reactions and find similar reactions in other reaction databases databases like CrossFire Beilstein.
• Display of main Markush reactions* allows a better understanding of the claim.
• For reaction products, spectral data and other physical properties are often given.
• The location in the patent* (e.g. the page number) makes it easy to find the reaction in the patent document.

*Specific data fields and features marked with an asterisk are available from patent documents published starting December 2003.

Better bioactivity profiling

Especially in the life sciences, researchers must compile full accounts of compound data sets for developing bioactivity profiles, selecting and optimizing leads, or designing combinatorial libraries. As multiple substance data from different patent documents are accumulated into a substance dossier the Patent Chemistry Database helps you explore the compound and bioactivity space.

• The database indexes not only defined compounds, but also "prophetic compounds". These are legally relevant compounds for which the inventor states that they can be prepared analogously to described methods, but doesn't prove their existence with supporting data (e.g. yield, spectral data).
• The database provides searchable property data* like application and bioactivity data, formulation, detailed spectral data (i.e. NMR, IR, MS signals) and physical data (i.e. LogP).
• You can display a graphical representation of a Markush structure linked to the correlated defined compounds within the patent document*.
• The result view of a structure search summarizes all property data for a given compound derived from different patent documents.
• Exporting structures and their numerical bioactivity data into a tabular form supplies a clearly arranged structure-activity-relationship table.
• The location in patent* (most often the page number) allows easy finding of the data in the original patent document.

*Specific data fields and features marked with an asterisk are available from patent documents published starting December 2003.

Easy relevance check

Quickly understanding the scope and relevance of patents can save time, effort and money by directing research to avoid patented compounds, reactions and processes. By bringing claims text, main Markush structures and reactions* to the desktop in an easy-to-view format, the Patent Chemistry Database can make it faster and easier to check the relevance of patent documents.

• Main patent family members (patent equivalents) are listed under Publication/ Application Data.
• English-language claims text is given in addition to title and abstract.
• Markush structures and reaction scheme* are appended to the claim text for easy-to-read display.
• Links to patent full-text documents via LitLink lead to official patent providers such as EspaceNet, US Patent Server, and Delphion.