⚠ 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 | |
|---|---|---|---|---|
| Nitric Acid SCHEMBL4961752 | 0.94 | CA12 (0.33) | — | |
| SCHEMBL2480926 | 0.93 | CA12 (0.39) | — | |
| Nitric Acid SCHEMBL2481069 | 0.88 | CA12 (0.36) | — | |
| SCHEMBL3863882 | 0.86 | — | — | |
| SCHEMBL8261445 | 0.81 | BCHE (0.40) | — | |
| Nitric Acid SCHEMBL219749 | 0.80 | MEN1 (0.36) | — | |
| SCHEMBL4731008 | 0.77 | CA12 (0.48) | — | |
| SCHEMBL1220763 | 0.77 | CA12 (0.48) | — | |
| SCHEMBL20381098 | 0.77 | ALDH1A1 (0.38) | — | |
| SCHEMBL25184217 | 0.75 | 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 15 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-7754772-B2 | Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use | NICOX, S.A. (FR) | 2010-07-13 | — | — | 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 |
| EP-1539729-A4 | NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2008-02-20 | — | — | EP | disclosed |
| US-7163958-B2 | Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use | NITROMED INC. (US) | 2007-01-16 | — | — | US | disclosed |
| US-20050222243-A1 | Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use | NITROMED, INC. (US) | 2005-10-06 | — | — | US | disclosed |
| EP-1539729-A2 | NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2005-06-15 | — | — | EP | disclosed |
| US-20040024057-A1 | Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use related applications | NITROMED, INC. | 2004-02-05 | — | — | US | disclosed |
| WO-2004004648-A2 | NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2004-01-15 | — | — | WO | disclosed |