⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16600191 | 0.81 | AHR (0.33) | — | |
| SCHEMBL26419920 | 0.71 | AHR (0.39) | — | |
| SCHEMBL16682941 | 0.70 | TSHR (0.36) | — | |
| SCHEMBL23611585 | 0.70 | — | — | |
| SCHEMBL29877583 | 0.70 | — | — | |
| SCHEMBL21279047 | 0.65 | GABRA1 (0.33) | — | |
| SCHEMBL19126026 | 0.65 | HSP90AA1 (0.41) | — | |
| SCHEMBL17866559 | 0.62 | AHR (0.34) | — | |
| SCHEMBL8861704 | 0.62 | ENPP2 (0.35) | — | |
| SCHEMBL13650780 | 0.62 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0296517-B1 | PROCESS FOR PREPARING MONOHALOGENATED BENZOCYCLOBUTENE | THE DOW CHEMICAL COMPANY (US) | 1993-07-28 | — | — | EP | disclosed |