⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL528979 | 0.72 | — | — | |
| SCHEMBL18427240 | 0.69 | — | — | |
| SCHEMBL10401350 | 0.69 | — | — | |
| SCHEMBL8995374 | 0.69 | — | — | |
| SCHEMBL19240758 | 0.69 | — | — | |
| SCHEMBL4195358 | 0.69 | — | — | |
| SCHEMBL22692532 | 0.68 | THRB (0.31) | — | |
| SCHEMBL123396 | 0.67 | — | — | |
| SCHEMBL11559559 | 0.67 | — | — | |
| SCHEMBL10761177 | 0.67 | — | — |
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-0231510-B1 | 1-ARYL PYRAZOLES | BAYER AG (DE) | 1990-09-26 | — | — | EP | disclosed |
| US-4810720-A | INSECTICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1989-03-07 | — | — | US | disclosed |
| EP-0231510-A2 | 1-Aryl pyrazoles | BAYER AG (DE) | 1987-08-12 | — | — | EP | disclosed |