⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5208821 | 0.92 | CHRNB2 (0.31) | — | |
| SCHEMBL5208753 | 0.89 | CHRNB2 (0.35) | — | |
| SCHEMBL5209290 | 0.85 | ALDH1A1 (0.34) | — | |
| SCHEMBL5208696 | 0.83 | — | — | |
| SCHEMBL5207687 | 0.80 | CHRNB2 (0.37) | — | |
| SCHEMBL5205889 | 0.78 | CHRNB2 (0.34) | — | |
| SCHEMBL5203858 | 0.76 | LMNA (0.31) | — | |
| SCHEMBL5211825 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL5207482 | 0.74 | — | — | |
| SCHEMBL498403 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| CN-1250447-A | 4-(3-heterocyclyl-1-benzoyl) pyrazoles and their use as herbicides | BASF AG (DE) | 2000-04-12 | — | — | CN | disclosed |