Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Trifluoroethanol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Trifluoroethanol SCHEMBL8952016 | 0.95 | — | — | |
| Trifluoroethanol SCHEMBL28192499 | 0.95 | MEN1 (0.36) | — | |
| Trifluoroethanol SCHEMBL4869 | 0.95 | — | — | |
| Trifluoroethanol SCHEMBL7993974 | 0.90 | — | — | |
| Trifluoroethanol SCHEMBL27724160 | 0.90 | — | — | |
| Trifluoroethanol SCHEMBL30480680 | 0.90 | — | — | |
| Trifluoroethanol SCHEMBL30480679 | 0.90 | — | — | |
| Trifluoroethanol SCHEMBL319180 | 0.90 | — | — | |
| Trifluoroethanol SCHEMBL3396004 | 0.90 | — | — | |
| Trifluoroethanol SCHEMBL28211643 | 0.90 | — | — |
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-105263929-B | 3-Pyrimidin-4-yl-oxazolidin-2-one compounds as mutant IDH inhibitors | 诺华股份有限公司 | 2018-08-28 | — | — | CN | disclosed |