⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11049983 | 0.87 | MAOA (0.30) | — | |
| SCHEMBL11052599 | 0.82 | MAOA (0.41) | — | |
| SCHEMBL11048993 | 0.80 | MAOA (0.45) | — | |
| SCHEMBL11047729 | 0.80 | MAOA (0.45) | — | |
| SCHEMBL10597476 | 0.72 | — | — | |
| SCHEMBL11667517 | 0.69 | — | — | |
| SCHEMBL992989 | 0.69 | — | — | |
| Diethanolamine SCHEMBL11226566 | 0.68 | — | — | |
| SCHEMBL27633109 | 0.67 | — | — | |
| Diethanolamine SCHEMBL27661740 | 0.67 | TSHR (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4424336-A | Meat-curable mixture, which are stable on storage, of epoxide resin, 3-aminocrotonic acid derivatives and maleimide compound | CIBA-GEIGY CORPORATION (US) | 1984-01-03 | — | — | US | disclosed |
| US-4360655-A | Heat-curable mixtures, which are stable on storage, of epoxide compounds β-aminocrotonic acid derivatives and polyamine | CIBA-GEIGY CORPORATION (US) | 1982-11-23 | — | — | US | disclosed |
| US-4291146-A | Heat-curable mixtures, which are stable on storage, of expoxide resins and β-aminocrotonic acid derivatives | CIBA-GEIGY CORPORATION (US) | 1981-09-22 | — | — | US | disclosed |