⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10597435 | 0.59 | — | — | |
| SCHEMBL3784085 | 0.43 | — | — | |
| SCHEMBL11330344 | 0.41 | — | — | |
| SCHEMBL28520803 | 0.41 | — | — | |
| SCHEMBL22977587 | 0.40 | — | — | |
| SCHEMBL5399370 | 0.38 | — | — | |
| SCHEMBL28262477 | 0.38 | — | — | |
| SCHEMBL14401341 | 0.38 | — | — | |
| Carbon Dioxide SCHEMBL1273952 | 0.38 | — | — | |
| SCHEMBL2552774 | 0.38 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |