⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5209097 | 0.85 | ALDH1A1 (0.32) | — | |
| SCHEMBL5208815 | 0.83 | CHRNB2 (0.31) | — | |
| SCHEMBL5207475 | 0.76 | CHRNB2 (0.32) | — | |
| SCHEMBL429457 | 0.74 | TSHR (0.42) | — | |
| SCHEMBL30764103 | 0.71 | HCAR2 (0.38) | — | |
| SCHEMBL497803 | 0.70 | — | — | |
| SCHEMBL497603 | 0.69 | NPC1 (0.38) | — | |
| SCHEMBL4721437 | 0.67 | FFAR3 (0.33) | — | |
| SCHEMBL2334377 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL497744 | 0.67 | ALDH1A1 (0.33) | — |
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-0958292-B1 | 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES | BASF AG (DE) | 2007-01-03 | — | — | EP | disclosed |
| US-6165944-A | 4-(3-heterocyclyl-1-benzoyl) pyrazoles and their use as herbicides | BASF AKTIENGESELLSCHAFT (DE) | 2000-12-26 | — | — | US | 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 |