⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5742 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL27886066 | 0.95 | ALDH1A1 (0.39) | — | |
| SCHEMBL8932059 | 0.95 | — | — | |
| Cyanide SCHEMBL27483350 | 0.91 | — | — | |
| Ethane SCHEMBL4851147 | 0.91 | — | — | |
| Iodomethane SCHEMBL28152110 | 0.87 | — | — | |
| Methylsulfanylmethane SCHEMBL23629453 | 0.83 | — | — | |
| SCHEMBL7458730 | 0.83 | — | — | |
| SCHEMBL31577566 | 0.70 | — | — | |
| SCHEMBL117800 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107353229-B | A kind of preparation method of agomelatine intermediate body | 许昌恒生制药有限公司 | 2019-04-30 | — | — | CN | claimed |
| CN-107827845-A | novel method for synthesizing butyrolactone derivative | 安徽华胜医药科技有限公司 | 2018-03-23 | — | — | CN | disclosed |