⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4854 | 0.91 | — | — | |
| SCHEMBL29462185 | 0.86 | — | — | |
| SCHEMBL27560531 | 0.86 | — | — | |
| SCHEMBL28325346 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL30012063 | 0.86 | — | — | |
| SCHEMBL29182313 | 0.75 | LMNA (0.38) | — | |
| SCHEMBL15994528 | 0.75 | — | — | |
| Formic Acid SCHEMBL28511428 | 0.72 | — | — | |
| Trifluoroethanol SCHEMBL2120192 | 0.72 | — | — | |
| SCHEMBL17255905 | 0.70 | AKR1B1 (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 |
|---|---|---|---|---|---|---|---|
| CN-109574884-A | A kind of preparation method of 2- (2,2- difluoroethoxy) -6- trifluoromethyl propyl thioether | 淮安国瑞化工有限公司 | 2019-04-05 | — | — | CN | disclosed |