⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3544439 | 0.87 | — | — | |
| SCHEMBL5011523 | 0.86 | — | — | |
| SCHEMBL3546137 | 0.84 | — | — | |
| SCHEMBL5013423 | 0.80 | — | — | |
| SCHEMBL5012660 | 0.79 | — | — | |
| SCHEMBL5016136 | 0.79 | — | — | |
| SCHEMBL3547778 | 0.78 | — | — | |
| SCHEMBL5013254 | 0.78 | — | — | |
| SCHEMBL5011715 | 0.77 | — | — | |
| SCHEMBL3549151 | 0.77 | — | — |
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 4 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 |
| US-7834014-B2 | Parkinson's disease; [2-(7-amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)-octahydro-pyrido[1,2-a]pyrazin-7-yl]-methanol; | BIOGEN IDEC MA INC. (US) | 2010-11-16 | — | — | US | disclosed |
| US-20070173505-A1 | A2a adenosine receptor antagonists | BIOGEN IDEC MA INC. | 2007-07-26 | — | — | US | disclosed |