⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL269574 | 0.74 | TSHR (0.30) | — | |
| SCHEMBL271549 | 0.74 | — | — | |
| SCHEMBL19803717 | 0.69 | TSHR (0.35) | — | |
| SCHEMBL269977 | 0.66 | — | — | |
| SCHEMBL10425407 | 0.65 | TSHR (0.32) | — | |
| SCHEMBL23597571 | 0.62 | — | — | |
| SCHEMBL270470 | 0.60 | — | — | |
| SCHEMBL597698 | 0.60 | TSHR (0.55) | — | |
| SCHEMBL21558210 | 0.59 | — | — | |
| SCHEMBL28553052 | 0.56 | — | — |
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-1347969-A1 | 5- (PYRAZOL-4-YL)CARBONYL]BENZAZOLONE AS HERBICIDE | BASF AKTIENGESELLSCHAFT (DE) | 2003-10-01 | — | — | EP | disclosed |
| WO-2002048140-A1 | 5-[(PYRAZOL-4-YL)CARBONYL]BENZAZOLONE AS HERBICIDE | BASF AKTIENGESELLSCHAFT (DE) | 2002-06-20 | — | — | WO | disclosed |
| EP-1177194-A1 | 4-(3',4'-HETEROCYCLYL BENZOYL) PYRAZOLES AS HERBICIDAL AGENTS | BASF AKTIENGESELLSCHAFT (DE) | 2002-02-06 | — | — | EP | disclosed |
| WO-2000068228-A1 | 4-(3',4'-HETEROCYCLYL BENZOYL) PYRAZOLES AS HERBICIDAL AGENTS | BASF AKTIENGESELLSCHAFT (DE) | 2000-11-16 | — | — | WO | disclosed |