⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6280436 | 0.79 | SHBG (0.38) | — | |
| SCHEMBL8625811 | 0.78 | ESR1 (0.34) | — | |
| SCHEMBL9250608 | 0.71 | ESR1 (0.37) | — | |
| SCHEMBL20414725 | 0.68 | SHBG (0.47) | — | |
| SCHEMBL11245198 | 0.68 | SHBG (0.35) | — | |
| SCHEMBL5140991 | 0.66 | SHBG (0.45) | — | |
| SCHEMBL6157069 | 0.65 | SHBG (0.50) | — | |
| SCHEMBL11834731 | 0.65 | SHBG (0.33) | — | |
| SCHEMBL18139 | 0.65 | SHBG (0.53) | — | |
| SCHEMBL247685 | 0.65 | SHBG (0.53) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5254624-A | Molding materials | BAYER AKTIENGESELLSCHAFT (DE) | 1993-10-19 | — | — | US | disclosed |