⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21121163 | 0.83 | NOS3 (0.31) | — | |
| SCHEMBL535052 | 0.67 | PDE5A (0.44) | — | |
| SCHEMBL24088767 | 0.67 | POLB (0.41) | — | |
| SCHEMBL3696816 | 0.66 | BACE1 (0.35) | — | |
| SCHEMBL23067587 | 0.66 | EPHX2 (0.42) | — | |
| SCHEMBL13115362 | 0.65 | NPC1 (0.42) | — | |
| SCHEMBL24088760 | 0.65 | NPC1 (0.45) | — | |
| SCHEMBL3286058 | 0.64 | BACE1 (0.36) | — | |
| SCHEMBL82665 | 0.64 | — | — | |
| SCHEMBL5924432 | 0.63 | — | — |
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 |