⚠ 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 | |
|---|---|---|---|---|
| Iodobenzene SCHEMBL3628957 | 0.96 | — | — | |
| Iodobenzene SCHEMBL10481785 | 0.96 | ALDH1A1 (0.43) | — | |
| Iodobenzene SCHEMBL10538620 | 0.96 | ALDH1A1 (0.43) | — | |
| Iodobenzene SCHEMBL1587 | 0.96 | — | — | |
| Iodobenzene SCHEMBL1331855 | 0.96 | — | — | |
| Iodobenzene SCHEMBL18190267 | 0.92 | — | — | |
| Iodobenzene SCHEMBL4335131 | 0.92 | ALDH1A1 (0.40) | — | |
| Iodobenzene SCHEMBL20608266 | 0.92 | — | — | |
| Iodobenzene SCHEMBL22612499 | 0.92 | — | — | |
| Iodobenzene SCHEMBL2250668 | 0.92 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0026235-B1 | PROCESS FOR MOLDING AN ACETYLENE HIGH POLYMER AND PROCESS FOR FABRICATION THEREOF | SHOWA DENKO KABUSHIKI KAISHA (JP) | 1986-12-10 | — | — | EP | disclosed |
| US-4596852-A | Process for producing a gel-like composition of a high polymer of acetylene, and process for molding said composition | SHOWA DENKO K.K. (JP) | 1986-06-24 | — | — | US | disclosed |
| US-4452959-A | Process for producing a gel-like composition of a high polymer of acetylene, and process for molding said composition | SHOWA DENKO K.K. (JP) | 1984-06-05 | — | — | US | disclosed |
| US-4410640-A | Process for producing a gel-like composition of a high polymer of acetylene, and process for molding said composition | SHOWA DENKO K.K. (JP) | 1983-10-18 | — | — | US | disclosed |
| EP-0026235-A1 | Process for molding an acetylene high polymer and process for fabrication thereof | SHOWA DENKO KABUSHIKI KAISHA (JP) | 1981-04-08 | — | — | EP | disclosed |