⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5424767 | 0.94 | — | — | |
| SCHEMBL5421933 | 0.92 | — | — | |
| SCHEMBL5416907 | 0.91 | — | — | |
| SCHEMBL5406142 | 0.91 | — | — | |
| SCHEMBL5408833 | 0.90 | — | — | |
| SCHEMBL5416301 | 0.90 | — | — | |
| SCHEMBL5410646 | 0.89 | — | — | |
| SCHEMBL5411034 | 0.89 | — | — | |
| SCHEMBL5416411 | 0.88 | — | — | |
| SCHEMBL5415884 | 0.88 | — | — |
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 |