⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5680391 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL5677496 | 0.76 | GRIN2D (0.35) | — | |
| SCHEMBL5675990 | 0.74 | HSD11B1 (0.41) | — | |
| SCHEMBL5676178 | 0.72 | — | — | |
| SCHEMBL5676231 | 0.71 | GAA (0.45) | — | |
| SCHEMBL5675623 | 0.68 | HSD11B1 (0.30) | — | |
| SCHEMBL5676291 | 0.68 | EPHX2 (0.34) | — | |
| SCHEMBL24133118 | 0.60 | LMNA (0.38) | — | |
| SCHEMBL5677240 | 0.60 | LMNA (0.38) | — | |
| SCHEMBL28922446 | 0.57 | GRIN2D (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7332505-B2 | Nitrosated and nitrosylated proton pump inhibitors, compositions and methods of use | NITROMED, INC. (US) | 2008-02-19 | — | — | US | disclosed |
| EP-1154771-A4 | NITROSATED AND NITROSYLATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2005-04-20 | — | — | EP | disclosed |
| US-6852739-B1 | Methods using proton pump inhibitors and nitric oxide donors | NITROMED INC. (US) | 2005-02-08 | — | — | US | disclosed |
| US-20040266828-A1 | Nitrosated and nitrosylated proton pump inhibitors, compositions and methods of use | NITROMED, INC. (US) | 2004-12-30 | — | — | US | disclosed |
| EP-1154771-A1 | NITROSATED AND NITROSYLATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2001-11-21 | — | — | EP | disclosed |
| WO-2000050037-A1 | NITROSATED AND NITROSYLATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2000-08-31 | — | — | WO | disclosed |