⚠ 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 | |
|---|---|---|---|---|
| Mannitol Hexanitrate SCHEMBL220255 | 0.86 | ALDH1A1 (0.36) | — | |
| Mannitol Hexanitrate SCHEMBL57515 | 0.86 | ALDH1A1 (0.36) | — | |
| SCHEMBL16541089 | 0.82 | ALDH1A1 (0.36) | — | |
| SCHEMBL13714555 | 0.77 | — | — | |
| Erythrityl Tetranitrate SCHEMBL119876 | 0.75 | ALDH1A1 (0.40) | — | |
| Tetranitrin SCHEMBL613474 | 0.75 | ALDH1A1 (0.40) | — | |
| Erythrityl Tetranitrate SCHEMBL1816345 | 0.75 | ALDH1A1 (0.40) | — | |
| Tetranitrin SCHEMBL16541075 | 0.75 | ALDH1A1 (0.40) | — | |
| SCHEMBL28671436 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL9470796 | 0.73 | GSR (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090215838-A1 | ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN II ANTAGONISTS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2009-08-27 | — | — | US | disclosed |
| US-20090048219-A1 | ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NITROMED INC. (US) | 2009-02-19 | — | — | US | disclosed |
| US-20080293678-A1 | Organic Nitric Oxide Donor Salts of Angiotensin Converting Enzyme Inhibitors, Compositions and Methods of Use | NITROMED, INC. (US) | 2008-11-27 | — | — | US | disclosed |