⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3796332 | 0.79 | CYP2A6 (0.67) | — | |
| SCHEMBL8516557 | 0.75 | — | — | |
| SCHEMBL443665 | 0.75 | — | — | |
| SCHEMBL1388762 | 0.75 | — | — | |
| SCHEMBL2014183 | 0.75 | CYP11B2 (0.61) | — | |
| SCHEMBL8840 | 0.75 | — | — | |
| SCHEMBL9525696 | 0.75 | — | — | |
| SCHEMBL1468179 | 0.75 | — | — | |
| SCHEMBL28776 | 0.75 | — | — | |
| SCHEMBL10413477 | 0.75 | — | — |
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-0413293-A2 | 1-(Benzo[b]thienyl)-2-(thienyl) ethenes and related compounds, a process for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1991-02-20 | — | — | EP | disclosed |