⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7071126 | 0.87 | — | — | |
| SCHEMBL11308525 | 0.82 | TSHR (0.43) | — | |
| SCHEMBL7623221 | 0.81 | — | — | |
| SCHEMBL11315246 | 0.79 | MEN1 (0.31) | — | |
| SCHEMBL6525264 | 0.76 | KDM4E (0.33) | — | |
| SCHEMBL11312024 | 0.76 | CYP3A4 (0.44) | — | |
| SCHEMBL18918232 | 0.75 | — | — | |
| SCHEMBL779622 | 0.75 | — | — | |
| SCHEMBL6467172 | 0.74 | — | — | |
| SCHEMBL17331087 | 0.73 | ALDH1A1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4257987-A | SYNERGISTIC ARTHROPODICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1981-03-24 | — | — | US | disclosed |
| EP-0000127-A1 | Insecticidal and acaricidal compositions, their manufacture and their use | BAYER AG (DE) | 1979-01-10 | — | — | EP | disclosed |