⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5417517 | 0.98 | — | — | |
| SCHEMBL5405870 | 0.87 | — | — | |
| SCHEMBL5418976 | 0.85 | ADORA2A (0.58) | — | |
| SCHEMBL5413970 | 0.85 | — | — | |
| SCHEMBL5418963 | 0.85 | — | — | |
| SCHEMBL5415775 | 0.84 | — | — | |
| SCHEMBL5417035 | 0.84 | — | — | |
| SCHEMBL5413414 | 0.84 | — | — | |
| SCHEMBL5418766 | 0.84 | — | — | |
| SCHEMBL5420271 | 0.84 | — | — |
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-1615930-A2 | TRIAZOLOTRIAZINES AND PYRAZOLOTRIAZINES USEFUL AS A2A ADENOSINE RECEPTOR ANTAGONISTS | Biogen Idec MA, Inc. (US) | 2006-01-18 | — | — | EP | claimed |
| WO-2004092170-A2 | TRIAZOLOTRIAZINES AND PYRAZOLOTRIAZINES USEFUL AS A2A ADENOSINE RECEPTOR ANTAGON ISTS | BIOGEN IDEC MA INC. (US) | 2004-10-28 | — | — | WO | claimed |