⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL185750 | 0.97 | — | — | |
| SCHEMBL9494396 | 0.97 | — | — | |
| SCHEMBL9497647 | 0.97 | — | — | |
| SCHEMBL27823959 | 0.94 | — | — | |
| SCHEMBL28061662 | 0.94 | — | — | |
| SCHEMBL28823468 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL10640358 | 0.94 | — | — | |
| Cyclohexane SCHEMBL28389512 | 0.89 | TP53 (0.36) | — | |
| Butane SCHEMBL3248202 | 0.87 | HDAC1 (0.39) | — | |
| SCHEMBL3718632 | 0.85 | TP53 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105523916-B | Synthesis how the method for appropriate pyrrole smooth intermediate impurities 2- (3,5- bis trifluoromethyl phenyl) propionic acid | 中国科学技术大学先进技术研究院 | 2019-03-19 | — | — | CN | disclosed |
| CN-105523916-A | Method for synthetizing Netupitant midbody impurity 2-(3,5-Bis-trifluoromethyl-phenyl) propionic acid | INST OF ADVANCED TECH UNIV OF SCIENCE AND TECH OF CHINA | 2016-04-27 | — | — | CN | disclosed |