⚠ 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 | |
|---|---|---|---|---|
| Magnesium Chloride Anhydrous SCHEMBL27322503 | 0.67 | — | — | |
| SCHEMBL11424809 | 0.67 | — | — | |
| SCHEMBL27757952 | 0.62 | — | — | |
| SCHEMBL6956781 | 0.59 | — | — | |
| SCHEMBL27983369 | 0.58 | — | — | |
| SCHEMBL6314 | 0.58 | — | — | |
| SCHEMBL11552183 | 0.54 | — | — | |
| SCHEMBL10355566 | 0.54 | — | — | |
| Formic Acid SCHEMBL165088 | 0.54 | — | — | |
| SCHEMBL21724758 | 0.54 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7223859-B2 | Method for producing (R)-3-[4-(trifluoromethyl) phenylamino]-pentanoic acid amide derivative | PFIZER INC. (US) | 2007-05-29 | — | — | US | disclosed |
| EP-1604975-A1 | PROCESSES FOR PRODUCTION OF (R)-3- 4-(TRIFLUOROMETHYL)- PHEN YLAMINO PENTANAMIDE DERIVATIVES | KANEKA CORPORATION (JP) | 2005-12-14 | — | — | EP | disclosed |
| US-20040199005-A1 | Method for producing (R) -3- [4- (trifluoromethyl) phenylamino] -pentanoic acid amide derivative | KANEKA CORPORATION (JP) | 2004-10-07 | — | — | US | disclosed |