⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28577549 | 0.85 | CCNT1 (0.30) | — | |
| SCHEMBL28571392 | 0.83 | P2RX7 (0.32) | — | |
| SCHEMBL28576952 | 0.81 | P2RX7 (0.34) | — | |
| SCHEMBL28622324 | 0.74 | MAPT (0.31) | — | |
| SCHEMBL19986524 | 0.69 | P2RX7 (0.33) | — | |
| SCHEMBL19986542 | 0.68 | KMT2A (0.48) | — | |
| SCHEMBL19986641 | 0.66 | STK17A (0.37) | — | |
| SCHEMBL13946890 | 0.62 | — | — | |
| SCHEMBL23609208 | 0.61 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL19986470 | 0.60 | MAPT (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109790123-B | Novel capsid protein assembly inhibitors | 正大天晴药业集团股份有限公司 | 2021-06-25 | — | — | CN | disclosed |
| 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 |