⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30105375 | 0.73 | — | — | |
| SCHEMBL28837154 | 0.71 | — | — | |
| SCHEMBL23914029 | 0.70 | — | — | |
| SCHEMBL26090782 | 0.70 | — | — | |
| SCHEMBL13560102 | 0.68 | — | — | |
| SCHEMBL5422751 | 0.65 | — | — | |
| SCHEMBL10949875 | 0.64 | TSHR (0.36) | — | |
| SCHEMBL13476630 | 0.63 | — | — | |
| SCHEMBL15131263 | 0.63 | — | — | |
| SCHEMBL148912 | 0.63 | — | — |
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 |