⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14433364 | 0.76 | PGR (0.33) | — | |
| SCHEMBL843790 | 0.73 | — | — | |
| SCHEMBL12763934 | 0.73 | — | — | |
| SCHEMBL14116672 | 0.72 | — | — | |
| SCHEMBL950470 | 0.70 | — | — | |
| SCHEMBL12847430 | 0.68 | — | — | |
| SCHEMBL13626494 | 0.68 | — | — | |
| SCHEMBL454920 | 0.68 | — | — | |
| SCHEMBL28844341 | 0.65 | GSK3B (0.41) | — | |
| SCHEMBL24956372 | 0.64 | CYP11B1 (0.30) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090054397-A1 | PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND | OHI NORIHITO | 2009-02-26 | — | — | US | disclosed |
| US-7429609-B2 | Pyrazole compound and medicinal composition containing the same | EISAI R & D MANAGEMENT CO., LTD. (JP) | 2008-09-30 | — | — | US | disclosed |
| US-7429609-B2 | Pyrazole compound and medicinal composition containing the same | EISAI R & D MANAGEMENT CO., LTD. (JP) | 2008-09-30 | — | — | US | disclosed |
| US-20050261339-A1 | Pyrazole compound and medicinal composition containing the same | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2005-11-24 | — | — | US | disclosed |
| US-20050208582-A1 | Pyrazole compounds and pharmaceutical compositions comprising the compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2005-09-22 | — | — | US | disclosed |
| CN-1656079-A | Pyrazole compounds and pharmaceutical compositions containing the same | EISAI CO LTD (JP) | 2005-08-17 | — | — | CN | disclosed |
| EP-1510516-A1 | PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME | Eisai Co., Ltd. (JP) | 2005-03-02 | — | — | EP | disclosed |