⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5477666 | 1.00 | — | — | |
| SCHEMBL2533959 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL9975266 | 0.74 | — | — | |
| SCHEMBL12441517 | 0.74 | — | — | |
| SCHEMBL4155288 | 0.74 | — | — | |
| SCHEMBL7221161 | 0.74 | — | — | |
| SCHEMBL1122886 | 0.73 | — | — | |
| SCHEMBL9850117 | 0.70 | — | — | |
| SCHEMBL8303841 | 0.70 | — | — | |
| SCHEMBL18785496 | 0.70 | — | — |
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-0915853-B1 | SUBSTITUTED 3-PHENYL PYRAZOLES | BASF AG (DE) | 2002-11-06 | — | — | EP | disclosed |
| US-6197973-B1 | HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2001-03-06 | — | — | US | disclosed |