⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL144881 | 0.96 | — | — | |
| Hno SCHEMBL27808457 | 0.88 | — | — | |
| Sulfamate SCHEMBL1691468 | 0.67 | — | — | |
| SCHEMBL5093119 | 0.67 | — | — | |
| Hydroxyamine SCHEMBL31745587 | 0.67 | — | — | |
| Methane SCHEMBL9047974 | 0.67 | — | — | |
| Sulfamide SCHEMBL5429560 | 0.66 | — | — | |
| SCHEMBL4335791 | 0.64 | CA1 (0.50) | — | |
| SCHEMBL7492627 | 0.64 | — | — | |
| SCHEMBL404551 | 0.64 | — | — |
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-0086492-B1 | N-((ALKYLAMINO)CARBONYL)-N-(((ALKYLAMINO)-CARBONYL)OXY)ACYLAMIDES WITH ANTINEOPLASTIC ACTIVITY | THE DOW CHEMICAL COMPANY (US) | 1986-09-10 | — | — | EP | disclosed |
| US-4413009-A | N-((Alkylamino)carbonyl)-N-(((alkylamino)carbonyl)oxy)acylamides with antineoplastic activity | THE DOW CHEMICAL COMPANY (US) | 1983-11-01 | — | — | US | disclosed |
| EP-0086492-A2 | N-((alkylamino)carbonyl)-N-(((alkylamino)-carbonyl)oxy)acylamides with antineoplastic activity | THE DOW CHEMICAL COMPANY (US) | 1983-08-24 | — | — | EP | disclosed |