⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30628139 | 0.92 | — | — | |
| 2-Methoxyethanol SCHEMBL2131714 | 0.81 | — | — | |
| SCHEMBL4742 | 0.78 | — | — | |
| Hydrogen Peroxide SCHEMBL8586801 | 0.75 | — | — | |
| SCHEMBL10442088 | 0.75 | ALDH1A1 (0.40) | — | |
| Ethylene Glycol SCHEMBL4969618 | 0.75 | ALDH1A1 (0.40) | — | |
| SCHEMBL28743872 | 0.75 | — | — | |
| Methyl Alcohol SCHEMBL14861499 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL5618162 | 0.75 | — | — | |
| SCHEMBL27527758 | 0.75 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7598273-B2 | Inhibitors of the gastric H+, K+-ATPase with enhanced therapeutic properties | AUSPEX PHARMACEUTICALS, INC (US) | 2009-10-06 | — | — | US | disclosed |
| US-20090215831-A1 | INHIBITORS OF THE GASTRIC H+, K+-ATPASE WITH ENHANCED THERAPEUTIC PROPERTIES | AUSPEX PHARMACEUTICALS, INC. (US) | 2009-08-27 | — | — | US | disclosed |
| US-20090209592-A1 | INHIBITORS OF THE GASTRIC H+, K+-ATPASE WITH ENHANCED THERAPEUTIC PROPERTIES | AUSPEX PHARMACEUTICALS, INC. (US) | 2009-08-20 | — | — | US | disclosed |
| US-20070082929-A1 | Inhibitors of the gastric H+, K+-atpase with enhanced therapeutic properties | AUSPEX PHARMACEUTICALS, INC. | 2007-04-12 | — | — | US | disclosed |