⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10676865 | 0.79 | — | — | |
| SCHEMBL11477950 | 0.79 | — | — | |
| SCHEMBL19328999 | 0.73 | — | — | |
| SCHEMBL15335285 | 0.72 | EPHX1 (1.00) | — | |
| SCHEMBL17687707 | 0.72 | EPHX1 (0.52) | — | |
| SCHEMBL11311126 | 0.72 | EPHX1 (1.00) | — | |
| SCHEMBL21929721 | 0.71 | EPHX1 (0.50) | — | |
| SCHEMBL27787237 | 0.70 | — | — | |
| Isobutyramide SCHEMBL28318929 | 0.69 | TSHR (0.35) | — | |
| SCHEMBL3069363 | 0.66 | EPHX1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1226288-C | Novel synthesis technology of N-methyl-2-methyl-3-thia-5-chlorovaleryl amine | SHANDONG HENGLIDA CHEMICALS CO (CN) | 2005-11-09 | — | — | CN | claimed |
| CN-1556103-A | Novel synthesis technology of N-methyl-2-methyl-3-thia-5-chlorovaleryl amine | 山东恒利达化学品公司 | 2004-12-22 | — | — | CN | claimed |
| US-5411856-A | Gelatin hardened with divinylsulfonyl methane derivative for photographic films | EASTMAN KODAK COMPANY (US) | 1995-05-02 | — | — | US | disclosed |