⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL419710 | 0.79 | — | — | |
| SCHEMBL10285378 | 0.74 | — | — | |
| SCHEMBL9968719 | 0.74 | — | — | |
| SCHEMBL12062489 | 0.72 | USP2 (0.48) | — | |
| SCHEMBL14533548 | 0.72 | USP2 (0.48) | — | |
| SCHEMBL860503 | 0.72 | USP2 (0.48) | — | |
| SCHEMBL14338106 | 0.69 | KDM4E (0.33) | — | |
| SCHEMBL1463811 | 0.68 | — | — | |
| SCHEMBL23766374 | 0.67 | — | — | |
| SCHEMBL11643831 | 0.65 | NCF1 (0.38) | — |
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-2018050110-A1 | NOVEL CAPSID PROTEIN ASSEMBLY INHIBITOR | 正大天晴药业集团股份有限公司 | 2018-03-22 | — | — | WO | disclosed |