⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11009018 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL309032 | 0.66 | TAS2R38 (0.39) | — | |
| SCHEMBL4388609 | 0.66 | ALDH1A1 (0.40) | — | |
| Ammonia Solution, Strong SCHEMBL4628894 | 0.62 | ALDH1A1 (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL5537746 | 0.62 | ALDH1A1 (0.36) | — | |
| SCHEMBL439375 | 0.62 | — | — | |
| SCHEMBL4977826 | 0.62 | — | — | |
| SCHEMBL11707110 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL6788353 | 0.59 | — | — | |
| SCHEMBL188411 | 0.59 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4719245-A | TRIMERIZATION CATALYST | THE DOW CHEMICAL COMPANY (US) | 1988-01-12 | — | — | US | disclosed |
| US-4703099-A | CATALYTICALLY TRIMERIZING ISOCYANATES | THE DOW CHEMICAL COMPANY (US) | 1987-10-27 | — | — | US | disclosed |
| US-4632989-A | KETENE AMINAL-OLEFIN REACTION PRODUCT AS CATALYSTS | THE DOW CHEMICAL COMPANY (US) | 1986-12-30 | — | — | US | disclosed |
| US-4536490-A | REACTION PRODUCT OF KETENE-AMINAL AND UNSATURATED COMPOUND | THE UPJOHN COMPANY (US) | 1985-08-20 | — | — | US | disclosed |