⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL181798 | 0.76 | — | — | |
| SCHEMBL24465008 | 0.76 | — | — | |
| SCHEMBL181797 | 0.76 | — | — | |
| SCHEMBL18880298 | 0.76 | — | — | |
| SCHEMBL13674366 | 0.75 | — | — | |
| SCHEMBL25830754 | 0.71 | — | — | |
| SCHEMBL22239328 | 0.70 | — | — | |
| SCHEMBL22383753 | 0.70 | — | — | |
| SCHEMBL27471323 | 0.70 | — | — | |
| SCHEMBL22809134 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009111449-A1 | 1,2,4-TRIAZOLO[4,3-C]PYRIMIDIN-3-ONE AND PYRAZOLO [4,3-E] -1,2,4-TRIAZOLO [4,3-C] PYRIMIDIN-3-ONE COMPOUNDS FOR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS | SCHERING CORPORATION (US) | 2009-09-11 | — | — | WO | disclosed |