⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7679 | 0.80 | — | — | |
| SCHEMBL29365139 | 0.80 | — | — | |
| SCHEMBL23159915 | 0.78 | NUDT1 (0.48) | — | |
| Hydrochloric Acid SCHEMBL16296100 | 0.78 | NUDT1 (0.48) | — | |
| Dipyridyl SCHEMBL28565857 | 0.75 | KDM4E (0.52) | — | |
| SCHEMBL16457900 | 0.72 | NUDT1 (0.42) | — | |
| Urea SCHEMBL28419880 | 0.71 | FLT3 (0.49) | — | |
| SCHEMBL5671484 | 0.69 | KDM4E (0.41) | — | |
| SCHEMBL11903658 | 0.68 | CDK2 (0.50) | — | |
| SCHEMBL5025757 | 0.68 | CDK2 (0.50) | — |
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 |