⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18995061 | 0.83 | CYP2A6 (0.36) | — | |
| SCHEMBL6964424 | 0.78 | — | — | |
| SCHEMBL19222446 | 0.78 | CYP2A6 (0.38) | — | |
| SCHEMBL28519015 | 0.78 | SRC (0.42) | — | |
| SCHEMBL17428932 | 0.75 | CYP2A6 (0.36) | — | |
| SCHEMBL18386521 | 0.74 | CYP2A6 (0.35) | — | |
| SCHEMBL23449026 | 0.71 | LTB4R (0.35) | — | |
| SCHEMBL2082912 | 0.71 | HIF1A (0.40) | — | |
| SCHEMBL4055281 | 0.71 | LTB4R (0.40) | — | |
| SCHEMBL10440459 | 0.70 | MAOA (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6703373-B1 | ANTICARCINOGENIC AGENTS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2004-03-09 | — | — | US | disclosed |
| 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 |
| US-4904674-A | FREE OF AGGLOMERATION OF FIBRILLATION | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1990-02-27 | — | — | US | disclosed |