⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27882974 | 0.78 | — | — | |
| SCHEMBL10904010 | 0.76 | — | — | |
| SCHEMBL9815532 | 0.70 | — | — | |
| Carbamic Acid SCHEMBL28286230 | 0.63 | ALOX15 (0.33) | — | |
| Bicarbonate SCHEMBL28221445 | 0.62 | — | — | |
| SCHEMBL2795931 | 0.62 | — | — | |
| SCHEMBL8723976 | 0.62 | — | — | |
| SCHEMBL11859953 | 0.60 | — | — | |
| SCHEMBL11310189 | 0.60 | — | — | |
| Acetic Acid SCHEMBL8074164 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1109542-A4 | NITROSATED AND NITROSYLATED ALPHA-ADRENERGIC RECEPTOR ANTAGONISTS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2008-03-26 | — | — | EP | disclosed |
| US-20050187222-A1 | Nitrosated and nitrosylated alpha-adrenergic receptor antagonist compounds | NITROMED, INC. (US) | 2005-08-25 | — | — | US | disclosed |
| US-20020061879-A1 | Nitrosated and nitrosylated alpha-adrenergic receptor antagonist compounds, compositions and their uses | GARVEY DAVID S (US) | 2002-05-23 | — | — | US | disclosed |
| EP-1109542-A1 | NITROSATED AND NITROSYLATED ALPHA-ADRENERGIC RECEPTOR ANTAGONISTS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2001-06-27 | — | — | EP | disclosed |
| WO-2000012075-A1 | NITROSATED AND NITROSYLATED ALPHA-ADRENERGIC RECEPTOR ANTAGONISTS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2000-03-09 | — | — | WO | disclosed |