⚠ 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 | |
|---|---|---|---|---|
| Methylene Chloride SCHEMBL1332597 | 0.82 | — | — | |
| Methylene Chloride SCHEMBL493 | 0.82 | — | — | |
| Methylene Chloride SCHEMBL8546647 | 0.82 | — | — | |
| Methylene Chloride SCHEMBL7293016 | 0.82 | — | — | |
| Methylene Chloride SCHEMBL1154217 | 0.82 | — | — | |
| Methylene Chloride SCHEMBL18247337 | 0.82 | — | — | |
| Methylene Chloride SCHEMBL3171834 | 0.73 | — | — | |
| Methylene Chloride SCHEMBL380908 | 0.73 | — | — | |
| Methylene Chloride SCHEMBL21625625 | 0.73 | — | — | |
| Methylene Chloride SCHEMBL20539491 | 0.73 | — | — |
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-104672054-A | Method for preparing vinyl chloride and coproducing dichloroethylene and 1,1,2-trichloroethane by acetylene-dichloromethane coupled reaction | DALIAN CHEMICAL PHYSICS INST | 2015-06-03 | — | — | CN | disclosed |
| CN-104672054-A | Method for preparing vinyl chloride and coproducing dichloroethylene and 1,1,2-trichloroethane by acetylene-dichloromethane coupled reaction | DALIAN CHEMICAL PHYSICS INST | 2015-06-03 | — | — | CN | disclosed |