⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL371007 | 0.95 | — | — | |
| SCHEMBL27510696 | 0.90 | — | — | |
| SCHEMBL27570119 | 0.90 | — | — | |
| SCHEMBL27578478 | 0.90 | — | — | |
| Fluoride SCHEMBL21815800 | 0.90 | — | — | |
| Methane SCHEMBL27888383 | 0.90 | — | — | |
| Fluoride SCHEMBL27339128 | 0.90 | — | — | |
| SCHEMBL368930 | 0.64 | — | — | |
| Vinyl Chloride SCHEMBL28145578 | 0.63 | — | — | |
| Vinyl Chloride SCHEMBL27940120 | 0.60 | — | — |
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-103420947-B | A kind of separation method of epoxychloropropane | 中国石油化工股份有限公司 | 2016-07-06 | — | — | CN | disclosed |