⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27762066 | 0.91 | — | — | |
| SCHEMBL28048217 | 0.85 | ENPP3 (0.30) | — | |
| SCHEMBL28330506 | 0.74 | — | — | |
| SCHEMBL28650258 | 0.71 | — | — | |
| SCHEMBL5936147 | 0.70 | NPSR1 (0.34) | — | |
| SCHEMBL28048245 | 0.70 | PRKCA (0.31) | — | |
| SCHEMBL19028077 | 0.70 | NPSR1 (0.30) | — | |
| SCHEMBL18641450 | 0.70 | — | — | |
| SCHEMBL28569157 | 0.69 | BRD4 (0.33) | — | |
| SCHEMBL28627416 | 0.67 | — | — |
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-113329791-A | 9-substituted amino-triazoloquinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and uses thereof | 默沙东公司 | 2021-08-31 | — | — | CN | disclosed |