⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL440929 | 0.96 | — | — | |
| SCHEMBL8335338 | 0.93 | — | — | |
| SCHEMBL258395 | 0.93 | — | — | |
| SCHEMBL394179 | 0.93 | — | — | |
| SCHEMBL2813902 | 0.89 | — | — | |
| SCHEMBL11416603 | 0.85 | — | — | |
| SCHEMBL18602568 | 0.82 | NPC1 (0.34) | — | |
| SCHEMBL9713560 | 0.81 | — | — | |
| SCHEMBL20382856 | 0.80 | — | — | |
| SCHEMBL22506808 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0088223-B1 | MANUFACTURE OF ISOCYANATES | AMERICAN CYANAMID COMPANY (US) | 1985-04-17 | — | — | EP | disclosed |
| EP-0088223-A1 | Manufacture of isocyanates | AMERICAN CYANAMID COMPANY (US) | 1983-09-14 | — | — | EP | disclosed |
| US-4379767-A | Manufacture of isocyanates | AMERICAN CYANAMID COMPANY (US) | 1983-04-12 | — | — | US | disclosed |