⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL623568 | 0.65 | — | — | |
| SCHEMBL1377406 | 0.64 | TSHR (0.31) | — | |
| SCHEMBL28330955 | 0.63 | ALDH1A1 (0.43) | — | |
| SCHEMBL21341 | 0.63 | — | — | |
| SCHEMBL144861 | 0.63 | — | — | |
| SCHEMBL3789219 | 0.61 | — | — | |
| SCHEMBL1510604 | 0.61 | — | — | |
| SCHEMBL1644245 | 0.61 | — | — | |
| SCHEMBL3712112 | 0.61 | — | — | |
| SCHEMBL9231132 | 0.61 | — | — |
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-8710038-B2 | Pyrazole kinase modulators and methods of use | EXELIXIS, INC. (US) | 2014-04-29 | — | — | US | disclosed |
| EP-1797072-A4 | PYRAZOLE KINASE MODULATORS AND METHODS OF USE | EXELIXIS INC (US) | 2009-09-09 | — | — | EP | disclosed |
| US-20070293507-A1 | Pyrazole Kinase Modulators And Methods Of Use | EXELIXIS, INC. (US) | 2007-12-20 | — | — | US | disclosed |
| EP-1797072-A2 | PYRAZOLE KINASE MODULATORS AND METHODS OF USE | Exelixis, Inc. (US) | 2007-06-20 | — | — | EP | disclosed |
| WO-2006033943-A2 | PYRAZOLE KINASE MODULATORS AND METHODS OF USE | EXELIXIS, INC (US) | 2006-03-30 | — | — | WO | disclosed |