⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28623336 | 0.69 | TSHR (0.37) | — | |
| SCHEMBL5488044 | 0.67 | — | — | |
| SCHEMBL14059434 | 0.66 | — | — | |
| SCHEMBL5849521 | 0.63 | — | — | |
| SCHEMBL28569690 | 0.63 | — | — | |
| SCHEMBL28020219 | 0.61 | — | — | |
| SCHEMBL2804628 | 0.59 | — | — | |
| SCHEMBL27316871 | 0.57 | — | — | |
| SCHEMBL112183 | 0.54 | TPMT (0.41) | — | |
| SCHEMBL4819249 | 0.51 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112939728-A | Preparation method of frainer intermediate 1, 3-dichloro-alpha- (trifluoromethyl) styrene | 石家庄手性化学有限公司 | 2021-06-11 | — | — | CN | disclosed |