⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1810 | 0.92 | — | — | |
| Iodide SCHEMBL23909139 | 0.88 | — | — | |
| SCHEMBL19514101 | 0.88 | — | — | |
| Alcohol SCHEMBL9799163 | 0.83 | FAAH (0.39) | — | |
| Trifluoroacetic Acid SCHEMBL28273275 | 0.81 | ALDH1A1 (0.41) | — | |
| Dimethyl Sulfoxide SCHEMBL5432280 | 0.81 | — | — | |
| SCHEMBL28235957 | 0.79 | CA2 (0.32) | — | |
| SCHEMBL6560631 | 0.77 | — | — | |
| SCHEMBL5864500 | 0.77 | — | — | |
| SCHEMBL3822357 | 0.74 | — | — |
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-0209157-B1 | PROCESS FOR THE PRODUCTION OF ALKYL TRIFLUOROACETATES | AUSIMONT S.p.A. (IT) | 1991-03-13 | — | — | EP | disclosed |
| US-4916256-A | STOICHIOMETRIC EXCESS OF TRIFLUOROACETYL CHLORIDE TO ALCOHOL | AUSIMONT, S.P.A. (IT) | 1990-04-10 | — | — | US | disclosed |