⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3993199 | 0.98 | CA12 (0.43) | — | |
| SCHEMBL3402931 | 0.98 | CA12 (0.43) | — | |
| SCHEMBL9335142 | 0.98 | CA12 (0.43) | — | |
| SCHEMBL28750843 | 0.98 | CA12 (0.43) | — | |
| SCHEMBL1041500 | 0.92 | — | — | |
| SCHEMBL1220763 | 0.87 | CA12 (0.48) | — | |
| SCHEMBL25180691 | 0.84 | CA12 (0.50) | — | |
| SCHEMBL8957403 | 0.84 | CA12 (0.50) | — | |
| SCHEMBL25180667 | 0.84 | CA12 (0.50) | — | |
| SCHEMBL1842696 | 0.84 | CA12 (0.50) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023226965-A1 | ROCK INHIBITORS AND USES THEREOF | DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) | 2023-11-30 | — | — | WO | claimed |
| EP-0207674-A2 | 1,4-Dihydropyridine derivatives, their preparation and their pharmaceutical use | SANKYO COMPANY LIMITED (JP) | 1987-01-07 | — | — | EP | claimed |
| WO-2023226965-A1 | ROCK INHIBITORS AND USES THEREOF | DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) | 2023-11-30 | — | — | WO | disclosed |
| EP-1601644-B1 | NITRIC OXIDE RELEASING PRODRUGS OF DIARYL-2-(5H)-FURANONES AS CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST COMPANY (CA) | 2009-05-27 | — | — | EP | disclosed |
| US-20070179150-A1 | NITROSATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2007-08-02 | — | — | US | disclosed |
| US-7211590-B2 | Nitrosated proton pump inhibitors, compositions and methods of use | NITROMED, INC. (US) | 2007-05-01 | — | — | US | disclosed |
| US-7169809-B2 | Nitric oxide releasing prodrugs of diaryl-2-(5H)-furanones as cyclooxygenase-2 inhibitors | MERCK FROSST COMPANY (CA) | 2007-01-30 | — | — | US | disclosed |
| EP-1534278-A4 | NITROSATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2006-09-06 | — | — | EP | disclosed |
| EP-1601644-A1 | NITRIC OXIDE RELEASING PRODRUGS OF DIARYL-2-(5H)-FURANONES AS CYCLOOXYGENASE-2 INHIBITORS | Merck Frosst Canada & Co. (CA) | 2005-12-07 | — | — | EP | disclosed |
| EP-1534278-A2 | NITROSATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2005-06-01 | — | — | EP | disclosed |
| WO-2004103955-A1 | NITRIC OXIDE RELEASING PRODRUGS OF DIARYL-2-(5H)-FURANONES AS CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST COMPANY (CA) | 2004-12-02 | — | — | WO | disclosed |
| US-20040176331-A1 | Nitric oxide releasing prodrugs of diaryl-2-(5H)-furanones as cyclooxygenase-2 inhibitors | MERCK FROSST COMPANY (CA) | 2004-09-09 | — | — | US | disclosed |
| WO-2004012659-A2 | NITROSATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2004-02-12 | — | — | WO | disclosed |
| US-20040024014-A1 | Nitrosated proton pump inhibitors, compositions and methods of use | NITROMED, INC. (US) | 2004-02-05 | — | — | US | disclosed |
| US-4992451-A | Hypotensive agents, calcium blocking agents | SANKYO COMPANY, LIMITED (JP) | 1991-02-12 | — | — | US | disclosed |
| EP-0207674-A2 | 1,4-Dihydropyridine derivatives, their preparation and their pharmaceutical use | SANKYO COMPANY LIMITED (JP) | 1987-01-07 | — | — | EP | disclosed |