⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5408729 | 0.87 | — | — | |
| SCHEMBL5653293 | 0.85 | ADORA2A (0.50) | — | |
| SCHEMBL5418951 | 0.85 | — | — | |
| SCHEMBL5415775 | 0.83 | — | — | |
| SCHEMBL6010426 | 0.81 | — | — | |
| SCHEMBL5096071 | 0.78 | — | — | |
| SCHEMBL5651503 | 0.77 | — | — | |
| SCHEMBL5417423 | 0.74 | ADORA2A (0.49) | — | |
| SCHEMBL5652733 | 0.73 | ADORA2A (0.51) | — | |
| SCHEMBL5407800 | 0.73 | ADORA2A (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7285550-B2 | Triazolotriazines and pyrazolotriazines and methods of making and using the same | BIOGEN IDEC MA INC. (US) | 2007-10-23 | — | — | US | claimed |
| US-20060276475-A1 | Triazolotriazines and pyrazolotriazines and methods of making and using the same | BIOGEN IDEC MA INC. | 2006-12-07 | — | — | US | claimed |
| 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 |