⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28121279 | 0.90 | SLC6A2 (0.32) | — | |
| SCHEMBL1829218 | 0.88 | SLC6A3 (0.34) | — | |
| SCHEMBL8645580 | 0.74 | — | — | |
| SCHEMBL4146680 | 0.69 | — | — | |
| SCHEMBL4150342 | 0.69 | SLC6A2 (0.32) | — | |
| SCHEMBL14690356 | 0.67 | — | — | |
| SCHEMBL6226346 | 0.66 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL8023790 | 0.65 | — | — | |
| SCHEMBL73020 | 0.65 | — | — | |
| SCHEMBL28220011 | 0.65 | ALOX15 (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 5 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-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 |
| EP-1510516-A1 | PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME | Eisai Co., Ltd. (JP) | 2005-03-02 | — | — | EP | disclosed |