⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL649043 | 0.79 | — | — | |
| SCHEMBL28159543 | 0.76 | — | — | |
| SCHEMBL5139541 | 0.72 | — | — | |
| SCHEMBL6542875 | 0.72 | — | — | |
| SCHEMBL2892606 | 0.67 | — | — | |
| SCHEMBL22618954 | 0.67 | — | — | |
| SCHEMBL8665784 | 0.67 | — | — | |
| SCHEMBL11143110 | 0.64 | — | — | |
| SCHEMBL5176517 | 0.63 | — | — | |
| SCHEMBL78668 | 0.62 | — | — |
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-116606242-A | Synthesis method of 4-trifluoromethyl pyridine | 上海瑞合达医药科技有限公司 | 2023-08-18 | — | — | CN | disclosed |