⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28837149 | 0.71 | — | — | |
| SCHEMBL26090782 | 0.65 | — | — | |
| SCHEMBL3667421 | 0.63 | — | — | |
| SCHEMBL8599560 | 0.63 | — | — | |
| SCHEMBL9633795 | 0.60 | ALDH1A1 (0.41) | — | |
| SCHEMBL1316837 | 0.58 | — | — | |
| SCHEMBL27246 | 0.57 | — | — | |
| SCHEMBL20138385 | 0.56 | — | — | |
| SCHEMBL8635704 | 0.56 | — | — | |
| Chloroform SCHEMBL6152248 | 0.54 | ALDH1A1 (0.41) | — |
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-115043802-A | Synthesis method of trifluoroethyl benzofuran compound | 温州大学 | 2022-09-13 | — | — | CN | disclosed |