⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16831456 | 0.73 | MEN1 (0.31) | — | |
| SCHEMBL10601999 | 0.72 | MET (0.32) | — | |
| SCHEMBL31476969 | 0.72 | — | — | |
| SCHEMBL21995788 | 0.72 | MEN1 (0.31) | — | |
| SCHEMBL9848080 | 0.71 | — | — | |
| SCHEMBL11570704 | 0.71 | — | — | |
| SCHEMBL11570359 | 0.69 | — | — | |
| SCHEMBL1857709 | 0.69 | MEN1 (0.32) | — | |
| SCHEMBL16099013 | 0.69 | — | — | |
| SCHEMBL21220908 | 0.69 | — | — |
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-113015530-A | Substituted aminotriazolopyrimidines and aminotriazolopyrizine adenosine receptor antagonists, pharmaceutical compositions and uses thereof | 默沙东公司 | 2021-06-22 | — | — | CN | disclosed |