⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28523060 | 0.77 | TSHR (0.30) | — | |
| SCHEMBL19776093 | 0.74 | — | — | |
| SCHEMBL8309936 | 0.74 | — | — | |
| SCHEMBL8311498 | 0.74 | — | — | |
| SCHEMBL24503912 | 0.72 | — | — | |
| SCHEMBL22758408 | 0.72 | — | — | |
| SCHEMBL20626045 | 0.70 | — | — | |
| SCHEMBL27514716 | 0.70 | — | — | |
| SCHEMBL29263118 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL27513370 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1250447-A | 4-(3-heterocyclyl-1-benzoyl) pyrazoles and their use as herbicides | BASF AG (DE) | 2000-04-12 | — | — | CN | disclosed |
| EP-0958292-A1 | 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1999-11-24 | — | — | EP | disclosed |
| WO-1998031682-A1 | 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1998-07-23 | — | — | WO | disclosed |