⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6945019 | 0.94 | — | — | |
| SCHEMBL6429306 | 0.89 | — | — | |
| SCHEMBL6449241 | 0.85 | — | — | |
| SCHEMBL337654 | 0.65 | — | — | |
| Diethanolamine SCHEMBL1571734 | 0.65 | CA2 (0.38) | — | |
| SCHEMBL7287754 | 0.63 | DRD4 (0.32) | — | |
| SCHEMBL19853619 | 0.63 | CASP2 (0.40) | — | |
| Diethanolamine SCHEMBL28008740 | 0.63 | TSHR (0.32) | — | |
| SCHEMBL10304508 | 0.63 | HTT (0.30) | — | |
| SCHEMBL48646 | 0.60 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030207919-A1 | Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositions and methods of use | NICOX S.A. (FR) | 2003-11-06 | — | — | US | disclosed |
| US-6593347-B2 | Especially a nitrosated and/or nitrosylated arylpropionic acid, arylacetic acid, enolic anilide or an oxicam | NITROMED, INC. | 2003-07-15 | — | — | US | disclosed |
| US-20020016322-A1 | Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositons and methods of use | NICOX S.A. (FR) | 2002-02-07 | — | — | US | disclosed |
| US-6297260-B1 | Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositions and methods of use | NITROMED, INC. | 2001-10-02 | — | — | US | disclosed |