⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5039885 | 0.48 | BACE1 (0.39) | — | |
| SCHEMBL292329 | 0.48 | — | — | |
| SCHEMBL5810451 | 0.48 | — | — | |
| SCHEMBL3079941 | 0.45 | — | — | |
| SCHEMBL63148 | 0.44 | — | — | |
| SCHEMBL108867 | 0.44 | — | — | |
| SCHEMBL107641 | 0.44 | PTK2 (1.00) | — | |
| Bromide SCHEMBL17912402 | 0.42 | PTK2 (0.89) | — | |
| SCHEMBL3743340 | 0.42 | ALDH1A1 (0.50) | — | |
| Hydrochloric Acid SCHEMBL208784 | 0.42 | PTK2 (0.89) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7015223-B1 | Substituted polycyclic aryl and heteroaryl 1,2,4-triazinones useful for selective inhibition of the coagulation cascade | PHARMACIA CORPORATION (US) | 2006-03-21 | — | — | US | claimed |
| US-6870056-B1 | Substitituted polycyclic aryl and heteroaryl pyridones useful for selective inhibition of the coagulation cascade | PHARMACIA CORPORATION (US) | 2005-03-22 | — | — | US | claimed |
| US-20040116430-A1 | Substituted polycyclic aryl and heteroaryl pyrimidinones useful for selective inhibition of the coagulation cascade | PHARMACIA CORPORATION | 2004-06-17 | — | — | US | claimed |
| US-6653316-B1 | Coronary artery and cerebrovascular diseases | PHARMACIA CORPORATION | 2003-11-25 | — | — | US | claimed |
| WO-2001087851-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIMIDINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | PHARMACIA CORPORATION (US) | 2001-11-22 | — | — | WO | claimed |
| US-7015223-B1 | Substituted polycyclic aryl and heteroaryl 1,2,4-triazinones useful for selective inhibition of the coagulation cascade | PHARMACIA CORPORATION (US) | 2006-03-21 | — | — | US | disclosed |
| US-6870056-B1 | Substitituted polycyclic aryl and heteroaryl pyridones useful for selective inhibition of the coagulation cascade | PHARMACIA CORPORATION (US) | 2005-03-22 | — | — | US | disclosed |
| US-20040116430-A1 | Substituted polycyclic aryl and heteroaryl pyrimidinones useful for selective inhibition of the coagulation cascade | PHARMACIA CORPORATION | 2004-06-17 | — | — | US | disclosed |
| US-6653316-B1 | Coronary artery and cerebrovascular diseases | PHARMACIA CORPORATION | 2003-11-25 | — | — | US | disclosed |
| WO-2001087851-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIMIDINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | PHARMACIA CORPORATION (US) | 2001-11-22 | — | — | WO | disclosed |
| WO-2001087842-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | PHARMACIA CORPORATION (US) | 2001-11-22 | — | — | WO | disclosed |