⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5026898 | 0.82 | — | — | |
| SCHEMBL13462501 | 0.79 | — | — | |
| SCHEMBL9513476 | 0.74 | — | — | |
| SCHEMBL28041951 | 0.73 | — | — | |
| SCHEMBL11021106 | 0.72 | — | — | |
| SCHEMBL9514682 | 0.71 | — | — | |
| SCHEMBL10666482 | 0.69 | — | — | |
| SCHEMBL11024612 | 0.68 | — | — | |
| SCHEMBL4760587 | 0.68 | — | — | |
| SCHEMBL9517041 | 0.66 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7030110-B2 | Cyclic oxyguanidine pyrazinones as protease inhibitors | ORTHO-MCNEIL PHARMACEUTICALS, INC. (US) | 2006-04-18 | — | — | US | disclosed |
| US-20060058291-A1 | Cyclic oxyguanidine pyrazinones as protease inhibitors | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2006-03-16 | — | — | US | disclosed |
| EP-1303510-A2 | CYCLIC OXYGUANIDINE PYRAZINONES AS PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2003-04-23 | — | — | EP | disclosed |
| US-20030073702-A1 | Cyclic oxyguanidine pyrazinones as protease inhibitors | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2003-04-17 | — | — | US | disclosed |
| EP-1259506-A1 | PYRAZINONE THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2002-11-27 | — | — | EP | disclosed |
| US-6476016-B2 | INHIBITING LOSS OF BLOOD PLATELETS, INHIBITING FORMATION OF BLOOD PLATELET AGGREGATES, INHIBITING FORMATION OF FIBRIN, INHIBITING THROMBUS FORMATION, AND INHIBITING EMBOLUS FORMATION | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2002-11-05 | — | — | US | disclosed |
| US-6387911-B1 | Pyrazinone thrombin inhibitors | MERCK & CO., INC. | 2002-05-14 | — | — | US | disclosed |
| US-20020052357-A1 | Cyclic oxyguanidine pyrazinones as protease inhibitors | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2002-05-02 | — | — | US | disclosed |
| WO-2002006248-A2 | CYCLIC OXYGUANIDINE PYRAZINONES AS PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2002-01-24 | — | — | WO | disclosed |
| WO-2001038323-A1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2001-05-31 | — | — | WO | disclosed |
| US-5763465-A | 7-(2-aminoethyl) benzothiazolones | ASTRA PHARMACEUTICALS LIMITED (GB) | 1998-06-09 | — | — | US | disclosed |
| US-5648370-A | 7-(2-aminoethyl) benzothiazolones | ASTRA PHARMACEUTICALS LIMITED (GB) | 1997-07-15 | — | — | US | disclosed |