⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27699520 | 0.90 | — | — | |
| SCHEMBL5910756 | 0.82 | SLC6A3 (0.30) | — | |
| SCHEMBL5377836 | 0.81 | — | — | |
| SCHEMBL5910802 | 0.80 | HRH3 (0.32) | — | |
| SCHEMBL4062953 | 0.79 | OPRD1 (0.34) | — | |
| SCHEMBL11552775 | 0.79 | ALDH1A1 (0.37) | — | |
| SCHEMBL232544 | 0.79 | — | — | |
| SCHEMBL3554364 | 0.75 | MEN1 (0.43) | — | |
| SCHEMBL16456040 | 0.73 | — | — | |
| SCHEMBL19920792 | 0.72 | SLC6A2 (0.31) | — |
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-115043832-A | FGFR inhibitor alkyne-substituted heterocyclic compound and preparation method and application thereof | 药雅科技(上海)有限公司 | 2022-09-13 | — | — | CN | disclosed |