⚠ 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 | |
|---|---|---|---|---|
| Butadiene SCHEMBL2133137 | 0.87 | — | — | |
| Propene SCHEMBL28139792 | 0.87 | — | — | |
| Water SCHEMBL11786429 | 0.86 | — | — | |
| SCHEMBL9859678 | 0.86 | TDP1 (1.00) | — | |
| SCHEMBL10789863 | 0.86 | — | — | |
| SCHEMBL14868 | 0.86 | — | — | |
| Vinyl Chloride SCHEMBL27671260 | 0.84 | — | — | |
| Propene SCHEMBL27443316 | 0.84 | TDP1 (0.69) | — | |
| SCHEMBL5547539 | 0.84 | TDP1 (0.69) | — | |
| Acrylonitrile SCHEMBL80068 | 0.84 | — | — |
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-108070308-A | For the dumb light clear coating composition of aluminium parts | 关西涂料株式会社 | 2018-05-25 | — | — | CN | disclosed |