⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29008449 | 0.82 | CDK5 (0.31) | — | |
| SCHEMBL29008446 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL29008496 | 0.81 | HPGD (0.33) | — | |
| SCHEMBL29008474 | 0.79 | HCAR2 (0.37) | — | |
| SCHEMBL29008452 | 0.79 | — | — | |
| SCHEMBL29008504 | 0.79 | SHMT2 (0.31) | — | |
| SCHEMBL29008472 | 0.79 | — | — | |
| SCHEMBL29008463 | 0.78 | — | — | |
| SCHEMBL29008499 | 0.78 | L3MBTL1 (0.39) | — | |
| SCHEMBL29008461 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116194537-A | Combination therapy with adenosine receptor antagonists | 泰昂治疗公司 | 2023-05-30 | — | — | CN | disclosed |