⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7592247 | 1.00 | — | — | |
| SCHEMBL3157114 | 0.86 | — | — | |
| SCHEMBL3157111 | 0.86 | — | — | |
| SCHEMBL7593284 | 0.83 | ESR1 (0.33) | — | |
| SCHEMBL7593283 | 0.83 | ESR1 (0.33) | — | |
| SCHEMBL17216871 | 0.81 | — | — | |
| SCHEMBL17570453 | 0.81 | — | — | |
| SCHEMBL13261697 | 0.79 | ESR1 (0.40) | — | |
| SCHEMBL17216728 | 0.79 | ESR1 (0.36) | — | |
| SCHEMBL17217505 | 0.79 | ESR1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0915853-B1 | SUBSTITUTED 3-PHENYL PYRAZOLES | BASF AG (DE) | 2002-11-06 | — | — | EP | disclosed |
| US-6197973-B1 | HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2001-03-06 | — | — | US | disclosed |
| EP-0915853-A1 | SUBSTITUTED 3-PHENYL PYRAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 1999-05-19 | — | — | EP | disclosed |
| WO-1998005649-A1 | SUBSTITUTED 3-PHENYL PYRAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 1998-02-12 | — | — | WO | disclosed |