⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15844959 | 0.81 | — | — | |
| SCHEMBL7830271 | 0.80 | — | — | |
| SCHEMBL2482637 | 0.71 | — | — | |
| SCHEMBL11689856 | 0.71 | — | — | |
| SCHEMBL88100 | 0.69 | — | — | |
| SCHEMBL214956 | 0.69 | CA12 (0.50) | — | |
| SCHEMBL6563272 | 0.69 | CA12 (0.43) | — | |
| Methoxymethane SCHEMBL11477676 | 0.69 | ALOX15 (0.50) | — | |
| SCHEMBL2745616 | 0.67 | TSHR (0.36) | — | |
| Ethane SCHEMBL11337270 | 0.67 | CA12 (0.42) | — |
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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1109542-A4 | NITROSATED AND NITROSYLATED ALPHA-ADRENERGIC RECEPTOR ANTAGONISTS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2008-03-26 | — | — | EP | disclosed |
| EP-1852422-A2 | Nitrosated and nitorsylated alpha-andrenergic receptor antagonist compounds, compositions and their uses | Nitromed, Inc. (US) | 2007-11-07 | — | — | EP | disclosed |
| EP-1018879-B1 | NITROSATED AND NITROSYLATED ALPHA-ADRENERGIC RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS AND THEIR USES | NITROMED INC (US) | 2007-08-01 | — | — | EP | disclosed |
| EP-1539134-A4 | NITROSATED AND/OR NITROSYLATED CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2007-04-11 | — | — | EP | disclosed |
| EP-1109543-A4 | NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2006-03-08 | — | — | EP | disclosed |
| US-20060009513-A1 | Nebivolol and its metabolites in combination with nitric oxide donors, compositions and methods of use | NITROMED, INC. (US) | 2006-01-12 | — | — | US | disclosed |
| EP-1603933-A2 | NITROSATED AND NITROSYLATED COMPOUNDS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2005-12-14 | — | — | EP | disclosed |
| EP-1539134-A2 | NITROSATED AND/OR NITROSYLATED CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2005-06-15 | — | — | EP | disclosed |
| EP-1126838-A4 | NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2005-02-16 | — | — | EP | disclosed |
| WO-2004098538-A2 | NITROSATED AND NITROSYLATED COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2004-11-18 | — | — | WO | disclosed |
| WO-2000012075-A1 | NITROSATED AND NITROSYLATED ALPHA-ADRENERGIC RECEPTOR ANTAGONISTS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2000-03-09 | — | — | WO | disclosed |
| US-5958926-A | FOR TREATING SEXUAL DISORDERS | NITROMED, INC. (US) | 1999-09-28 | — | — | US | disclosed |
| EP-0941086-A1 | NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITOR COMPOUNDS, COMPOSITIONS AND THEIR USES | Nitromed, Inc. (US) | 1999-09-15 | — | — | EP | disclosed |
| EP-0904266-A1 | NITROSATED AND NITROSYLATED COMPOUNDS AND COMPOSITIONS AND THEIR USE FOR TREATING RESPIRATORY DISORDERS | Nitromed, Inc. (US) | 1999-03-31 | — | — | EP | disclosed |
| WO-1998019672-A9 | NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITOR COMPOUNDS, COMPOSITIONS AND THEIR USES | — | 1998-09-11 | — | — | WO | disclosed |
| WO-1998019672-A1 | NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITOR COMPOUNDS, COMPOSITIONS AND THEIR USES | NITROMED INC. (US) | 1998-05-14 | — | — | WO | disclosed |
| EP-0821589-A1 | COMPOSITIONS AND METHODS TO PREVENT TOXICITY INDUCED BY NONSTEROIDAL ANTIINFLAMMATORY DRUGS | Nitromed, Inc. (US) | 1998-02-04 | — | — | EP | disclosed |
| WO-1997034871-A1 | NITROSATED AND NITROSYLATED COMPOUNDS AND COMPOSITIONS AND THEIR USE FOR TREATING RESPIRATORY DISORDERS | NITROMED, INC. (US) | 1997-09-25 | — | — | WO | disclosed |
| WO-1997027749-A1 | NITROSATED AND NITROSYLATED α-ADRENERGIC RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS AND THEIR USES | NITROMED, INC. (US) | 1997-08-07 | — | — | WO | disclosed |
| WO-1996032946-A1 | COMPOSITIONS AND METHODS TO PREVENT TOXICITY INDUCED BY NONSTEROIDAL ANTIINFLAMMATORY DRUGS | NITROMED, INC. (US) | 1996-10-24 | — | — | WO | disclosed |