⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5013255 | 0.91 | — | — | |
| SCHEMBL5012660 | 0.89 | — | — | |
| SCHEMBL5013291 | 0.89 | — | — | |
| SCHEMBL3547778 | 0.88 | — | — | |
| SCHEMBL5013331 | 0.88 | — | — | |
| SCHEMBL5012681 | 0.88 | ADORA2A (0.69) | — | |
| SCHEMBL5012667 | 0.84 | ADORA2A (0.67) | — | |
| SCHEMBL5012657 | 0.84 | ADORA2A (0.75) | — | |
| SCHEMBL5012655 | 0.84 | ADORA2A (0.75) | — | |
| SCHEMBL5011523 | 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 |