⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6010221 | 0.92 | ADORA2A (0.60) | — | |
| SCHEMBL5096039 | 0.88 | — | — | |
| SCHEMBL6009805 | 0.87 | — | — | |
| SCHEMBL5651503 | 0.85 | — | — | |
| SCHEMBL5416179 | 0.84 | — | — | |
| SCHEMBL6010304 | 0.82 | ADORA2A (0.53) | — | |
| SCHEMBL6010459 | 0.78 | — | — | |
| SCHEMBL5422080 | 0.78 | — | — | |
| SCHEMBL5096036 | 0.77 | — | — | |
| SCHEMBL5410950 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20070010522-A1 | Triazolo[1,5-c]pyrimidines and pyrazolo[1,5-c]pyrimidines useful as a2a adenosine receptor antagonists | BIOGEN IDEC MA INC. | 2007-01-11 | — | — | US | claimed |