⚠ 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 | |
|---|---|---|---|---|
| 1,1-Dichloroethene SCHEMBL87905 | 0.89 | — | — | |
| Vinyl Chloride SCHEMBL1695300 | 0.87 | — | — | |
| Vinyl Chloride SCHEMBL2463034 | 0.87 | — | — | |
| Vinyl Chloride SCHEMBL15057 | 0.87 | — | — | |
| Vinyl Chloride SCHEMBL27579191 | 0.87 | ALDH1A1 (0.38) | — | |
| Trichloroethylene SCHEMBL6129279 | 0.85 | — | — | |
| Vinyl Chloride SCHEMBL28213681 | 0.82 | — | — | |
| Vinyl Chloride SCHEMBL1447216 | 0.82 | — | — | |
| Chloroprene SCHEMBL11358829 | 0.82 | — | — | |
| Vinyl Chloride SCHEMBL11096996 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3995010-A | REMOVING VINYL CHLORIDE FROM A GAS STREAM BY CONTACTING WITH HYPOCHLOROUS ACID | ALLIED CHEMICAL CORPORATION (US) | 1976-11-30 | — | — | US | disclosed |