⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2123184 | 0.82 | FFAR3 (0.41) | — | |
| SCHEMBL1044296 | 0.80 | CYP3A4 (0.34) | — | |
| SCHEMBL28131045 | 0.80 | CYP3A4 (0.35) | — | |
| SCHEMBL27622188 | 0.79 | GRM4 (0.36) | — | |
| SCHEMBL27494957 | 0.79 | GRM4 (0.36) | — | |
| SCHEMBL27675713 | 0.79 | CYP3A4 (0.31) | — | |
| SCHEMBL27667731 | 0.79 | GRM4 (0.36) | — | |
| SCHEMBL28161665 | 0.79 | CYP3A4 (0.31) | — | |
| SCHEMBL28029244 | 0.79 | CYP3A4 (0.31) | — | |
| SCHEMBL8356300 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105732382-A | Method for producing 4-alkyl-3-methylenebutyl carboxylate | 信越化学工业株式会社 | 2016-07-06 | — | — | CN | claimed |
| CN-106062031-B | Tetracyanoanthraquinone dimethane polymers and uses thereof | 赢创德固赛有限公司 | 2018-01-05 | — | — | CN | disclosed |
| CN-106062031-A | Novel tetracyanoanthraquinone dimethane polymers and uses thereof | 赢创德固赛有限公司 | 2016-10-26 | — | — | CN | disclosed |
| CN-105732382-A | Method for producing 4-alkyl-3-methylenebutyl carboxylate | 信越化学工业株式会社 | 2016-07-06 | — | — | CN | disclosed |