⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5860722 | 0.78 | — | — | |
| SCHEMBL21488366 | 0.76 | — | — | |
| SCHEMBL16333421 | 0.75 | — | — | |
| SCHEMBL4754952 | 0.73 | — | — | |
| SCHEMBL11533523 | 0.72 | FAAH (0.57) | — | |
| SCHEMBL183178 | 0.72 | PLOD2 (0.46) | — | |
| Trifluoroacetic Acid SCHEMBL15453390 | 0.71 | ACLY (0.39) | — | |
| SCHEMBL9283764 | 0.69 | PLOD2 (0.44) | — | |
| Water SCHEMBL7191917 | 0.69 | PLOD2 (0.44) | — | |
| SCHEMBL891574 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119977918-A | Synthesis method of 2-bromomethyl-5-trifluoromethyl furan | 上海高准医药有限公司 | 2025-05-13 | — | — | CN | claimed |
| EP-2821398-A1 | Method for preparation of 6-trifluoromethylpyridine-3-carboxylic acid derivatives from 4,4,4-trifluoro-3-aminobutanoates | Lonza Ltd (CH) | 2015-01-07 | — | — | EP | disclosed |
| US-7002043-B2 | Process for producing 1,1,1-trifluoroacetone | CENTRAL GLASS COMPANY, LIMITED (JP) | 2006-02-21 | — | — | US | disclosed |
| US-20040034254-A1 | Process for producing 1,1,1-trifluoroacetone | CENTRAL GLASS COMPANY, LIMITED (JP) | 2004-02-19 | — | — | US | disclosed |