⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5674132 | 0.94 | — | — | |
| SCHEMBL5928 | 0.93 | — | — | |
| SCHEMBL6050087 | 0.86 | — | — | |
| Bromide SCHEMBL11622369 | 0.86 | — | — | |
| Chloromethane SCHEMBL8192571 | 0.86 | — | — | |
| Iodide SCHEMBL10973607 | 0.86 | — | — | |
| SCHEMBL579521 | 0.86 | — | — | |
| Ethane SCHEMBL776858 | 0.86 | — | — | |
| Water SCHEMBL4451967 | 0.86 | TSHR (0.30) | — | |
| Hydrogen Sulfide SCHEMBL7759386 | 0.86 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1497268-A4 | NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2006-01-18 | — | — | EP | disclosed |
| US-20060009431-A1 | Nitrosated and nitrosylated compounds, compositions and methods use | NITROMED, INC. (US) | 2006-01-12 | — | — | US | disclosed |
| EP-1603933-A2 | NITROSATED AND NITROSYLATED COMPOUNDS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2005-12-14 | — | — | EP | disclosed |
| EP-1497268-A2 | NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2005-01-19 | — | — | EP | disclosed |
| WO-2004098538-A2 | NITROSATED AND NITROSYLATED COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2004-11-18 | — | — | WO | disclosed |
| US-20030203915-A1 | Nitric oxide donors, compositions and methods of use related applications | NICOX S.A. (FR) | 2003-10-30 | — | — | US | disclosed |
| WO-2003086282-A2 | NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2003-10-23 | — | — | WO | disclosed |