⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3550536 | 0.92 | — | — | |
| SCHEMBL5013404 | 0.91 | — | — | |
| SCHEMBL5013254 | 0.88 | — | — | |
| SCHEMBL3541581 | 0.87 | — | — | |
| SCHEMBL3546137 | 0.85 | — | — | |
| SCHEMBL3549151 | 0.84 | — | — | |
| SCHEMBL5011705 | 0.84 | ADORA2A (0.78) | — | |
| SCHEMBL3551259 | 0.83 | — | — | |
| SCHEMBL3541171 | 0.83 | — | — | |
| SCHEMBL5012733 | 0.83 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1633756-B1 | A2A ADENOSINE RECEPTOR ANTAGONISTS | BIOGEN IDEC INC (US) | 2008-12-24 | — | — | EP | claimed |
| US-20070173505-A1 | A2a adenosine receptor antagonists | BIOGEN IDEC MA INC. | 2007-07-26 | — | — | US | claimed |