⚠ 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 SCHEMBL28164852 | 0.94 | — | — | |
| Vinyl Chloride SCHEMBL4592546 | 0.94 | — | — | |
| Vinyl Chloride SCHEMBL7642238 | 0.94 | ALDH1A1 (0.33) | — | |
| Vinyl Chloride SCHEMBL7642241 | 0.94 | — | — | |
| Vinyl Chloride SCHEMBL26633923 | 0.88 | — | — | |
| Vinyl Chloride SCHEMBL1695300 | 0.87 | — | — | |
| Vinyl Chloride SCHEMBL27579191 | 0.87 | ALDH1A1 (0.38) | — | |
| Vinyl Chloride SCHEMBL2463034 | 0.87 | — | — | |
| Vinyl Chloride SCHEMBL15057 | 0.87 | — | — | |
| Vinyl Chloride SCHEMBL4451969 | 0.80 | — | — |
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-106065349-A | For vehicle lubricant composition | 张家港市丰乐汽车设备有限公司 | 2016-11-02 | — | — | CN | claimed |
| CN-106065349-A | For vehicle lubricant composition | 张家港市丰乐汽车设备有限公司 | 2016-11-02 | — | — | CN | disclosed |