⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29397509 | 0.93 | — | — | |
| SCHEMBL24235273 | 0.90 | — | — | |
| SCHEMBL29791293 | 0.90 | — | — | |
| SCHEMBL24740310 | 0.88 | — | — | |
| SCHEMBL24020243 | 0.88 | — | — | |
| SCHEMBL30067758 | 0.88 | — | — | |
| SCHEMBL29511529 | 0.86 | — | — | |
| SCHEMBL30684963 | 0.86 | — | — | |
| SCHEMBL24112659 | 0.85 | — | — | |
| SCHEMBL24112784 | 0.85 | — | — |
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-2022021841-A1 | NOVEL CORONAVIRUS MAIN PROTEASE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 四川大学 | 2022-02-03 | — | — | WO | disclosed |