⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8723350 | 0.60 | — | — | |
| SCHEMBL2379897 | 0.59 | — | — | |
| SCHEMBL11038922 | 0.59 | — | — | |
| SCHEMBL17581107 | 0.59 | — | — | |
| SCHEMBL11661634 | 0.56 | — | — | |
| Calcium Chloride SCHEMBL5381230 | 0.50 | — | — | |
| SCHEMBL30663367 | 0.47 | — | — | |
| SCHEMBL282506 | 0.47 | — | — | |
| Calcium Chloride SCHEMBL23441478 | 0.45 | — | — | |
| Calcium Chloride SCHEMBL21751993 | 0.45 | — | — |
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-5731482-A | Method for purifying perchloroethylene containing dichlorobutadiene | PPG INDUSTRIES, INC. (US) | 1998-03-24 | — | — | US | disclosed |