⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10507607 | 0.96 | MEN1 (0.31) | — | |
| Ethylene SCHEMBL17611849 | 0.88 | — | — | |
| SCHEMBL17611852 | 0.83 | TRIM24 (0.32) | — | |
| SCHEMBL3733449 | 0.81 | KDM4E (0.33) | — | |
| SCHEMBL1701084 | 0.79 | MEN1 (0.34) | — | |
| Ethylene SCHEMBL15564129 | 0.76 | — | — | |
| SCHEMBL25346855 | 0.75 | — | — | |
| SCHEMBL8624010 | 0.72 | — | — | |
| SCHEMBL16878424 | 0.72 | TTR (0.33) | — | |
| SCHEMBL11956605 | 0.70 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160326142-A1 | PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH, INC. (US) | 2016-11-10 | — | — | US | disclosed |
| EP-2882718-A1 | PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | F.HOFFMANN-LA ROCHE AG (CH) | 2015-06-17 | — | — | EP | disclosed |
| US-20150158851-A1 | PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH, INC. (US) | 2015-06-11 | — | — | US | disclosed |
| WO-2014023258-A1 | PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | F.HOFFMANN-LA ROCHE AG (CH) | 2014-02-13 | — | — | WO | disclosed |