⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10609471 | 0.67 | — | — | |
| SCHEMBL73936 | 0.66 | — | — | |
| SCHEMBL3143238 | 0.65 | — | — | |
| SCHEMBL11690678 | 0.62 | — | — | |
| SCHEMBL7617975 | 0.62 | MPO (0.36) | — | |
| SCHEMBL8662289 | 0.62 | MPO (0.36) | — | |
| SCHEMBL7487796 | 0.62 | MPO (0.36) | — | |
| SCHEMBL220383 | 0.62 | — | — | |
| SCHEMBL19640955 | 0.60 | — | — | |
| SCHEMBL2519606 | 0.60 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080096880-A1 | Novel use of imidazotriazinones | BAYER HEAKTHCARE AG (DE) | 2008-04-24 | — | — | US | disclosed |
| EP-1519730-A1 | NOVEL USE OF IMIDAZOTRIAZINONES | Bayer HealthCare AG (DE) | 2005-04-06 | — | — | EP | disclosed |
| WO-2004004736-A1 | NOVEL USE OF IMIDAZOTRIAZINONES | BAYER HEALTHCARE AG (DE) | 2004-01-15 | — | — | WO | disclosed |