⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24933460 | 0.73 | — | — | |
| SCHEMBL20221283 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL22879195 | 0.69 | — | — | |
| SCHEMBL427006 | 0.69 | — | — | |
| SCHEMBL1964744 | 0.69 | — | — | |
| SCHEMBL3995563 | 0.65 | — | — | |
| SCHEMBL24838825 | 0.65 | — | — | |
| SCHEMBL25636828 | 0.63 | APLNR (0.35) | — | |
| SCHEMBL3964647 | 0.63 | GAA (0.42) | — | |
| SCHEMBL497812 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2020156494-A1 | CAPSID PROTEIN ASSEMBLY INHIBITOR CONTAINING PYRROLO HETEROCYCLE | 正大天晴药业集团股份有限公司 | 2020-08-06 | — | — | WO | disclosed |