⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL491908 | 0.76 | — | — | |
| SCHEMBL492262 | 0.72 | — | — | |
| SCHEMBL316623 | 0.72 | — | — | |
| SCHEMBL317568 | 0.72 | — | — | |
| SCHEMBL4546673 | 0.70 | — | — | |
| SCHEMBL74849 | 0.70 | DEGS1 (0.36) | — | |
| SCHEMBL10121187 | 0.70 | DEGS1 (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL8076876 | 0.68 | — | — | |
| SCHEMBL7310552 | 0.67 | — | — | |
| SCHEMBL2417775 | 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 |
|---|---|---|---|---|---|---|---|
| EP-1888565-B1 | 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | ALMIRALL SA (ES) | 2011-03-23 | — | — | EP | disclosed |