⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL14059762 | 0.98 | ADRA2A (0.55) | — | |
| Acetic Acid SCHEMBL17984724 | 0.89 | NPC1 (0.49) | — | |
| SCHEMBL8309808 | 0.83 | — | — | |
| SCHEMBL20633288 | 0.78 | — | — | |
| SCHEMBL10372158 | 0.78 | — | — | |
| SCHEMBL114600 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL5013106 | 0.77 | POLB (0.56) | — | |
| SCHEMBL10404030 | 0.76 | HPGD (0.58) | — | |
| SCHEMBL836488 | 0.75 | HPGD (0.49) | — | |
| SCHEMBL5946184 | 0.75 | ADRA2A (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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1292579-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | Pharmacia Corporation (US) | 2003-03-19 | — | — | EP | claimed |
| JP-2002544260-A | — | — | 2002-12-24 | — | — | JP | claimed |
| EP-1178964-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | Pharmacia Corporation (US) | 2002-02-13 | — | — | EP | claimed |
| WO-2001087854-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | PHARMACIA CORPORATION (US) | 2001-11-22 | — | — | WO | claimed |
| WO-2001087842-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | PHARMACIA CORPORATION (US) | 2001-11-22 | — | — | WO | claimed |
| WO-2001068605-A1 | POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED BENZENES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | PHARMACIA CORPORATION (US) | 2001-09-20 | — | — | WO | claimed |
| WO-2000069826-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | PHARMACIA CORPORATION (US) | 2000-11-23 | — | — | WO | 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 | disclosed |