⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL302252 | 0.67 | — | — | |
| SCHEMBL2367035 | 0.67 | — | — | |
| SCHEMBL555565 | 0.63 | — | — | |
| SCHEMBL596801 | 0.63 | — | — | |
| SCHEMBL3538755 | 0.59 | — | — | |
| SCHEMBL411469 | 0.59 | — | — | |
| SCHEMBL28428254 | 0.59 | NISCH (0.60) | — | |
| SCHEMBL21391829 | 0.59 | — | — | |
| SCHEMBL2839551 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL4481825 | 0.57 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080214589-A1 | Thrombin Inhibiting 2,4-Dioxo-3,4-Dihydropyrimidine Derivatives | ASTRAZENECA AB (SE) | 2008-09-04 | — | — | US | disclosed |
| US-20070161643-A1 | Pyridin-2-one compounds useful as inhibitors of thrombin | ASTRAZENECA AB (SE) | 2007-07-12 | — | — | US | disclosed |
| US-20070099962-A1 | 5,6-Dihydropyrin-2-one compounds useful as inhibitors of thrombin | ASTRAZENECA AB (SE) | 2007-05-03 | — | — | US | disclosed |
| EP-1713774-A1 | NEW PYRIDIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN | AstraZeneca AB (SE) | 2006-10-25 | — | — | EP | disclosed |
| EP-1697323-A1 | NEW 5,6-DIHYDROPYRIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN | AstraZeneca AB (SE) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005075424-A1 | NEW PYRIDIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN | ASTRAZENECA AB (SE) | 2005-08-18 | — | — | WO | disclosed |
| WO-2005058826-A1 | NEW 5,6-DIHYDROPYRIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN | ASTRAZENECA AB (SE) | 2005-06-30 | — | — | WO | disclosed |