⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22372327 | 0.89 | — | — | |
| SCHEMBL3200776 | 0.87 | — | — | |
| SCHEMBL57467 | 0.87 | — | — | |
| SCHEMBL2989708 | 0.87 | — | — | |
| SCHEMBL9547524 | 0.75 | — | — | |
| Bromide SCHEMBL3229526 | 0.75 | — | — | |
| SCHEMBL3967281 | 0.75 | — | — | |
| SCHEMBL9771245 | 0.75 | — | — | |
| SCHEMBL3342442 | 0.75 | — | — | |
| SCHEMBL3486434 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5194660-A | Processes for producing carbamates and isocyanates | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1993-03-16 | — | — | US | disclosed |
| EP-0161550-B1 | PROCESS FOR PRODUCING AN ALIPHATIC ISOCYANATE | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1988-01-20 | — | — | EP | disclosed |
| EP-0083096-B1 | PRODUCTION OF URETHANE COMPOUNDS | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1987-02-25 | — | — | EP | disclosed |
| US-4621149-A | PLATINUM GROUP METAL HALOGEN OR HALOGEN COMPOUND | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1986-11-04 | — | — | US | disclosed |
| US-4587056-A | CARBONYLATION, OXIDATION, CATALYST | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1986-05-06 | — | — | US | disclosed |
| EP-0161550-A1 | Process for producing an aliphatic isocyanate | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1985-11-21 | — | — | EP | disclosed |
| EP-0083096-A2 | Production of urethane compounds | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1983-07-06 | — | — | EP | disclosed |