⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15798313 | 0.85 | — | — | |
| SCHEMBL15798180 | 0.77 | — | — | |
| SCHEMBL2801737 | 0.72 | — | — | |
| SCHEMBL7786925 | 0.71 | — | — | |
| SCHEMBL1700892 | 0.69 | LMNA (0.52) | — | |
| SCHEMBL27928572 | 0.69 | LMNA (0.52) | — | |
| SCHEMBL1480685 | 0.69 | LMNA (0.52) | — | |
| SCHEMBL28652710 | 0.69 | LMNA (0.52) | — | |
| SCHEMBL22312 | 0.69 | LMNA (0.52) | — | |
| SCHEMBL5151075 | 0.67 | ALDH1A1 (0.52) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9670134-B2 | Synthesis of (2-nitro)alkyl (meth)acrylates via transesterification of (meth)acrylate esters | ANGUS CHEMICAL COMPANY (US) | 2017-06-06 | — | — | US | disclosed |
| US-20160046558-A1 | SYNTHESIS OF (2-NITRO)ALKYL (METH)ACRYLATES VIA TRANSESTERIFICATION OF (METH)ACRYLATE ESTERS | ADVANCION CORPORATION | 2016-02-18 | — | — | US | disclosed |
| US-8222277-B2 | Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use | NICOX S.A. (FR) | 2012-07-17 | — | — | 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 |
| EP-1539729-A4 | NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2008-02-20 | — | — | EP | 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 |