⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2723454 | 0.80 | — | — | |
| SCHEMBL5743993 | 0.74 | — | — | |
| SCHEMBL4459910 | 0.67 | — | — | |
| SCHEMBL7141609 | 0.67 | CHRM1 (0.37) | — | |
| SCHEMBL7138128 | 0.66 | — | — | |
| SCHEMBL16654776 | 0.64 | — | — | |
| SCHEMBL276429 | 0.64 | — | — | |
| SCHEMBL14178785 | 0.62 | — | — | |
| SCHEMBL5049546 | 0.62 | — | — | |
| SCHEMBL638269 | 0.62 | — | — |
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 3 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 |
| 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 |