CIPSI: An open chemical intellectual property service for medicinal chemists

被引:0
|
作者
Martinez-Sevillano, Maria [1 ]
Falaguera, Maria J. [2 ,3 ]
Mestres, Jordi [1 ,4 ]
机构
[1] IMIM Hosp Mar Med Res Inst, Res Grp Biomed Informat GRIB, Syst Pharmacol, Doctor Aiguader 88, Barcelona 08028, Spain
[2] European Mol Biol Lab European Bioinformat Inst EM, Hinxton, England
[3] Open Targets, Wellcome Genome Campus, Hinxton, England
[4] Univ Girona, Inst Quim Computac & Catalisi, Fac Ciencies, Girona, Spain
关键词
Patent chemistry; SureChEMBL; core chemical structures; patent annotation; comparative patent analyses;
D O I
10.1002/minf.202300221
中图分类号
R914 [药物化学];
学科分类号
100701 ;
摘要
The availability of patent chemical data offers public access to a chemical space that is not well covered by other sources collecting small molecules from scholarly literature. However, open applications to facilitate the search and analysis of biologically-relevant molecular structures present in patents are still largely missing. We have developed CIPSI, an open Chemical Intellectual Property Service @ IMIM to assist medicinal chemists in searching and analysing molecules in SureChEMBL patents. The current version contains 6,240,500 molecules from 236,689 pharmacological patents, of which 5,949,214 are confidently assigned to core chemical structures reminiscent of the Markush structure in the patent claim. The platform includes some graphical tools to facilitate comparative patent analyses between drugs, chemical substructures, and company assignees. CIPSI is available at .
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页数:5
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