⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7675551 | 0.71 | TSHR (0.33) | — | |
| SCHEMBL7679155 | 0.71 | TSHR (0.31) | — | |
| SCHEMBL27647201 | 0.69 | — | — | |
| SCHEMBL8311357 | 0.68 | — | — | |
| SCHEMBL8315341 | 0.68 | TSHR (0.33) | — | |
| SCHEMBL572666 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL2479532 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL12903899 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL8986491 | 0.65 | TSHR (0.32) | — | |
| SCHEMBL8311760 | 0.62 | TSHR (0.34) | — |
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 |