⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24354889 | 0.85 | — | — | |
| SCHEMBL20843879 | 0.72 | — | — | |
| SCHEMBL12452950 | 0.67 | — | — | |
| SCHEMBL22167670 | 0.67 | — | — | |
| SCHEMBL24575968 | 0.66 | — | — | |
| SCHEMBL107996 | 0.65 | TSHR (0.38) | — | |
| SCHEMBL107995 | 0.65 | TSHR (0.38) | — | |
| SCHEMBL20881200 | 0.64 | CTSK (0.41) | — | |
| SCHEMBL22662736 | 0.64 | CTSK (0.41) | — | |
| SCHEMBL18509649 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1700837-B1 | Process for producing 4-(2-methylphenyl)benzotrifluoride | SUMITOMO CHEMICAL CO (JP) | 2008-09-03 | — | — | EP | disclosed |