⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1128499 | 0.79 | — | — | |
| SCHEMBL24755330 | 0.64 | ALDH1A1 (0.30) | — | |
| SCHEMBL29795348 | 0.64 | ALDH1A1 (0.30) | — | |
| SCHEMBL24342281 | 0.63 | TDP1 (0.37) | — | |
| SCHEMBL12363447 | 0.61 | — | — | |
| SCHEMBL30008432 | 0.60 | PLK4 (0.33) | — | |
| SCHEMBL1216985 | 0.60 | IDO1 (0.34) | — | |
| SCHEMBL22895988 | 0.58 | ALDH1A1 (0.39) | — | |
| SCHEMBL3267354 | 0.57 | ADORA1 (0.45) | — | |
| SCHEMBL3252305 | 0.57 | HTT (0.37) | — |
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 |