⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL561294 | 0.80 | PLK4 (0.43) | — | |
| SCHEMBL30468605 | 0.80 | PLK4 (0.43) | — | |
| SCHEMBL30009040 | 0.75 | PLK4 (0.33) | — | |
| SCHEMBL30008432 | 0.71 | PLK4 (0.33) | — | |
| SCHEMBL31555833 | 0.65 | PLK4 (0.41) | — | |
| SCHEMBL31275227 | 0.64 | PRKCI (0.52) | — | |
| SCHEMBL20458527 | 0.63 | ADORA2A (0.39) | — | |
| SCHEMBL30009126 | 0.62 | PLK4 (0.45) | — | |
| SCHEMBL22554143 | 0.61 | PLK4 (0.41) | — | |
| SCHEMBL29882851 | 0.61 | PLK4 (0.48) | — |
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-2022237747-A1 | SMALL MOLECULAR CD73 ANTAGONIST AND USE THEREOF | 四川海思科制药有限公司 | 2022-11-17 | — | — | WO | disclosed |