⚠ 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 | |
|---|---|---|---|---|
| Vinyl Chloride SCHEMBL11809023 | 1.00 | — | — | |
| Vinyl Chloride SCHEMBL27579191 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL15022 | 0.82 | — | — | |
| Vinyl Chloride SCHEMBL15057 | 0.82 | — | — | |
| SCHEMBL679120 | 0.82 | — | — | |
| Vinyl Chloride SCHEMBL2463034 | 0.82 | — | — | |
| Vinyl Chloride SCHEMBL1695300 | 0.82 | — | — | |
| Vinyl Chloride SCHEMBL8198759 | 0.78 | — | — | |
| Acrylonitrile SCHEMBL2330226 | 0.78 | ALDH1A1 (0.60) | — | |
| Vinyl Chloride SCHEMBL15377851 | 0.76 | — | — |
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-112165861-A | Leaf spot control agent and plant growth regulator for Musaceae plant | 三井化学AGRO株式会社 | 2021-01-01 | — | — | CN | disclosed |