⚠ 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 SCHEMBL8252724 | 0.95 | ALDH1A1 (0.50) | — | |
| 1,1-Dichloroethene SCHEMBL6010214 | 0.84 | — | — | |
| 1,1-Dichloroethene SCHEMBL979464 | 0.78 | — | — | |
| 1,1-Dichloroethene SCHEMBL244212 | 0.78 | — | — | |
| 1,1-Dichloroethene SCHEMBL7620 | 0.78 | — | — | |
| Tetrachloroethylene SCHEMBL4217450 | 0.74 | TSHR (0.56) | — | |
| 1,1-Dichloroethene SCHEMBL11347373 | 0.73 | ALDH1A1 (0.47) | — | |
| 1,1-Dichloroethene SCHEMBL11212804 | 0.72 | — | — | |
| 1,2-Dichloroethane SCHEMBL525623 | 0.72 | ALDH1A1 (0.71) | — | |
| 1,1-Dichloroethene SCHEMBL1855244 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7163665-B2 | Apparatus for decomposing gaseous aliphatic hydrocarbon halide compounds | CANON KABUSHIKI KAISHA (JP) | 2007-01-16 | — | — | US | disclosed |
| US-20020189929-A1 | Apparatus for decomposing gaseous aliphatic hydrocarbon halide compounds | KATO KINYA (JP) | 2002-12-19 | — | — | US | disclosed |