⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5653293 | 0.88 | ADORA2A (0.50) | — | |
| SCHEMBL5096071 | 0.84 | — | — | |
| SCHEMBL5408729 | 0.83 | — | — | |
| SCHEMBL5418951 | 0.81 | — | — | |
| SCHEMBL5424746 | 0.81 | — | — | |
| SCHEMBL5651503 | 0.79 | — | — | |
| SCHEMBL5652733 | 0.76 | ADORA2A (0.51) | — | |
| SCHEMBL6010438 | 0.76 | — | — | |
| SCHEMBL5417517 | 0.74 | — | — | |
| SCHEMBL6010304 | 0.73 | ADORA2A (0.53) | — |
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-1618109-A2 | TRIAZOLO[1,5-C]PYRIMIDINES AND PYRAZOLO[1,5-C]PYRIMIDINES USEFUL AS A2A ADENOSINE RECEPTOR ANTAGONISTS | Biogen Idec MA Inc. (US) | 2006-01-25 | — | — | EP | disclosed |
| WO-2004092172-A2 | TRIAZOLO[1,5-C]PYRIMIDINES AND PYRAZOLO[1,5-C]PYRIMIDINES USEFUL AS A2A ADENOSIN E RECEPTOR ANTAGONISTS | BIOGEN IDEC MA INC. (US) | 2004-10-28 | — | — | WO | disclosed |