⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1031146 | 0.75 | — | — | |
| SCHEMBL6141348 | 0.75 | — | — | |
| SCHEMBL1032009 | 0.75 | — | — | |
| SCHEMBL1483243 | 0.69 | — | — | |
| SCHEMBL5137169 | 0.69 | — | — | |
| SCHEMBL1028570 | 0.65 | — | — | |
| SCHEMBL1028073 | 0.65 | — | — | |
| SCHEMBL1766798 | 0.65 | — | — | |
| SCHEMBL6683129 | 0.63 | ALDH1A1 (0.31) | — | |
| SCHEMBL26556034 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2036877-B1 | Production of fluormethyl 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ether | HALOCARBON PROD CORP (US) | 2015-08-12 | — | — | EP | claimed |
| EP-1268381-B1 | PRODUCTION OF FLUORMETHYL 2,2,2-TRIFLUORO-1-(TRIFLUOROMETHYL)ETHYL ETHER | HALOCARBON PROD CORP (US) | 2008-12-31 | — | — | EP | claimed |