⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13979249 | 0.86 | PTGS2 (0.41) | — | |
| Ethane SCHEMBL2012063 | 0.79 | LMNA (0.44) | — | |
| SCHEMBL457977 | 0.78 | — | — | |
| SCHEMBL2011016 | 0.77 | TSHR (0.50) | — | |
| Methane SCHEMBL2013838 | 0.76 | LMNA (0.46) | — | |
| SCHEMBL2011795 | 0.76 | — | — | |
| SCHEMBL13669671 | 0.76 | — | — | |
| SCHEMBL2012330 | 0.76 | LMNA (0.40) | — | |
| SCHEMBL12787733 | 0.75 | — | — | |
| SCHEMBL15507450 | 0.74 | ALDH1A1 (0.46) | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8304409-B2 | Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use | NICOX S.A. (FR) | 2012-11-06 | — | — | US | disclosed |
| US-8222277-B2 | Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use | NICOX S.A. (FR) | 2012-07-17 | — | — | US | disclosed |
| US-8088762-B2 | Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use | NICOX S.A. (FR) | 2012-01-03 | — | — | US | disclosed |
| US-20110098253-A1 | Nitrosated Nonsteroidal Antiinflammatory Compounds, Compositions and Methods of Use | NICOX S.A. (IT) | 2011-04-28 | — | — | US | disclosed |
| US-7883714-B2 | (2R)-2,3-bis(nitrooxy)propyl(2S)-2(6-methoxy(2-naphthyl)propanoate, used for treating inflammation, pain and fever; gastrointestinal disorders; wound healing agents; preventing gastrointestinal, renal and/or respiratory toxicities; side effect reduction; kits | NICOX S.A. (FR) | 2011-02-08 | — | — | US | disclosed |
| US-20100137291-A1 | NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NICOX SA (FR) | 2010-06-03 | — | — | US | disclosed |
| US-20100093671-A1 | NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NICOX SA (FR) | 2010-04-15 | — | — | US | disclosed |
| US-20100093708-A1 | NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NICOX SA (FR) | 2010-04-15 | — | — | US | disclosed |
| US-20090131342-A1 | Nitrosated and/or nitrosylated compounds, compositions and methods of use | NITROMED, INC. (US) | 2009-05-21 | — | — | US | disclosed |
| US-20080300292-A1 | Nitrosated and Nitrosylated Compounds, Compositions and Methods for the Treatment of Ophthalmic Disorders | NITROMED, INC (US) | 2008-12-04 | — | — | US | disclosed |
| US-7282519-B2 | Nitrosated and nitrosylated diuretic compounds, compositions and methods of use | NITROMED, INC. (US) | 2007-10-16 | — | — | US | disclosed |
| US-20070238740-A1 | Nitrosated And Nitrosylated Cardiovascular Compounds, Compositions And Methods Of Use | NITROMED, INC. (US) | 2007-10-11 | — | — | US | 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-20070037821-A1 | Nitrosated glutamic acid compounds, compositions and methods of use | NITROMED, INC. (US) | 2007-02-15 | — | — | US | disclosed |
| US-7163958-B2 | Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use | NITROMED INC. (US) | 2007-01-16 | — | — | US | disclosed |
| US-20070010571-A1 | Nitrosated and nitrosylated cardiovascular compounds, compositions and methods of use | NITROMED, INC. (US) | 2007-01-11 | — | — | US | disclosed |
| EP-1534683-A4 | CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2005-08-24 | — | — | EP | disclosed |
| EP-1534683-A2 | CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2005-06-01 | — | — | EP | disclosed |
| WO-2004002409-A2 | CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2004-01-08 | — | — | WO | disclosed |