⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22520015 | 0.74 | POLB (0.31) | — | |
| SCHEMBL20569763 | 0.70 | TOP2A (0.30) | — | |
| SCHEMBL20568564 | 0.70 | TOP2A (0.30) | — | |
| SCHEMBL20568883 | 0.70 | TOP2A (0.30) | — | |
| SCHEMBL29221957 | 0.70 | TOP2A (0.30) | — | |
| SCHEMBL29221960 | 0.70 | TOP2A (0.30) | — | |
| SCHEMBL8062803 | 0.69 | FKBP1A (0.33) | — | |
| SCHEMBL12632024 | 0.69 | FKBP1A (0.33) | — | |
| SCHEMBL30209271 | 0.68 | ALDH1A1 (0.34) | — | |
| SCHEMBL24500941 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117642411-A | Small molecule CD73 antagonists and uses thereof | 西藏海思科制药有限公司 | 2024-03-01 | — | — | CN | disclosed |
| 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 |