⚠ 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL11210794 | 0.87 | — | — | |
| SCHEMBL1331912 | 0.87 | — | — | |
| SCHEMBL253906 | 0.87 | — | — | |
| SCHEMBL9803971 | 0.87 | — | — | |
| SCHEMBL10938 | 0.87 | — | — | |
| Alcohol SCHEMBL11428082 | 0.85 | — | — | |
| SCHEMBL124298 | 0.85 | — | — | |
| Methyl Alcohol SCHEMBL3741971 | 0.83 | — | — | |
| Chloromethane SCHEMBL11387550 | 0.83 | — | — | |
| Propene SCHEMBL11414660 | 0.83 | — | — |
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-5262575-A | Chlorination with palladium chloride, platinum chloride or mixture of palladium chloride with other metal chloride | THE DOW CHEMICAL COMPANY (US) | 1993-11-16 | — | — | US | disclosed |