⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7573943 | 0.77 | GSR (0.35) | — | |
| SCHEMBL13001164 | 0.72 | — | — | |
| SCHEMBL13000794 | 0.72 | — | — | |
| SCHEMBL2733175 | 0.72 | — | — | |
| SCHEMBL27650212 | 0.71 | SLC7A5 (0.46) | — | |
| SCHEMBL22362390 | 0.71 | SLC7A5 (0.46) | — | |
| SCHEMBL15835696 | 0.69 | — | — | |
| SCHEMBL27579725 | 0.69 | — | — | |
| SCHEMBL5155191 | 0.68 | ALDH1A1 (0.31) | — | |
| Nitric Acid SCHEMBL27650213 | 0.68 | SLC7A5 (0.43) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1668008-A4 | NITROSATED AD NITROSYLATED DIURETIC COMPOUDS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2009-02-25 | — | — | EP | disclosed |
| US-7282519-B2 | Nitrosated and nitrosylated diuretic compounds, compositions and methods of use | NITROMED, INC. (US) | 2007-10-16 | — | — | US | disclosed |
| EP-1668008-A2 | NITROSATED AD NITROSYLATED DIURETIC COMPOUDS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2006-06-14 | — | — | EP | disclosed |
| WO-2005023183-A2 | NITROSATED AD NITROSYLATED DIURETIC COMPOUDS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2005-03-17 | — | — | WO | disclosed |
| US-20050059655-A1 | Nitrosated and nitrosylated diuretic compounds, compositions and methods of use | NITROMED, INC. (US) | 2005-03-17 | — | — | US | disclosed |