⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14938491 | 1.00 | — | — | |
| SCHEMBL21300744 | 0.80 | — | — | |
| SCHEMBL20143283 | 0.80 | — | — | |
| SCHEMBL18211354 | 0.78 | THRB (0.55) | — | |
| SCHEMBL13963966 | 0.78 | THRB (0.55) | — | |
| SCHEMBL17660522 | 0.78 | THRB (0.55) | — | |
| SCHEMBL23870551 | 0.75 | THRB (0.52) | — | |
| SCHEMBL22274157 | 0.75 | THRB (0.52) | — | |
| SCHEMBL21466271 | 0.75 | THRB (0.68) | — | |
| SCHEMBL18812118 | 0.75 | THRB (0.52) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230159453-A1 | INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION | COCRYSTAL PHARMA, INC. | 2023-05-25 | — | — | US | disclosed |
| CN-106459004-B | Apelin receptor (APJ) agonists and uses thereof | 研究三角协会 | 2020-09-15 | — | — | CN | disclosed |
| WO-2013067646-A1 | PROCESS FOR THE SYNTHESIS OF BETA-AMINOCARBONYLS | UNIVERSITY OF OTTAWA (CA) | 2013-05-16 | — | — | WO | disclosed |