⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5013356 | 0.88 | — | — | |
| SCHEMBL3549151 | 0.86 | — | — | |
| SCHEMBL3552239 | 0.86 | — | — | |
| SCHEMBL3541171 | 0.85 | — | — | |
| SCHEMBL3542662 | 0.81 | ADORA2A (0.70) | — | |
| SCHEMBL3542658 | 0.81 | ADORA2A (0.70) | — | |
| SCHEMBL3543525 | 0.81 | ADORA2A (0.70) | — | |
| SCHEMBL5011705 | 0.81 | ADORA2A (0.78) | — | |
| SCHEMBL3547116 | 0.81 | ADORA2A (0.83) | — | |
| SCHEMBL5013291 | 0.81 | — | — |
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 |
| EP-1633756-A2 | A2A ADENOSINE RECEPTOR ANTAGONISTS | Biogen Idec MA Inc. (US) | 2006-03-15 | — | — | EP | claimed |
| WO-2004092173-A2 | A2A ADENOSINE RECEPTOR ANTAGONISTS | BIOGEN IDEC MA INC. (US) | 2004-10-28 | — | — | WO | claimed |