⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4312450 | 0.62 | — | — | |
| SCHEMBL1076627 | 0.56 | — | — | |
| SCHEMBL4723369 | 0.56 | — | — | |
| SCHEMBL389120 | 0.56 | — | — | |
| SCHEMBL3221482 | 0.56 | — | — | |
| SCHEMBL24501930 | 0.54 | — | — | |
| Dimethylamine SCHEMBL1760836 | 0.48 | — | — | |
| SCHEMBL18721125 | 0.47 | — | — | |
| Benzene SCHEMBL527921 | 0.47 | — | — | |
| SCHEMBL8677458 | 0.45 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104458983-B | A kind of method of effective acquisition serum small molecule metabolin information | 中国科学院大连化学物理研究所 | 2016-08-17 | — | — | CN | claimed |