⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9638657 | 0.79 | — | — | |
| SCHEMBL9637657 | 0.75 | MEN1 (0.34) | — | |
| SCHEMBL2059028 | 0.69 | HPGD (0.33) | — | |
| SCHEMBL10919064 | 0.62 | MAPK8 (0.33) | — | |
| SCHEMBL10911984 | 0.61 | CA12 (0.32) | — | |
| SCHEMBL14100052 | 0.61 | — | — | |
| SCHEMBL7598688 | 0.60 | HPGD (0.52) | — | |
| SCHEMBL10910749 | 0.59 | — | — | |
| SCHEMBL9638346 | 0.58 | NPC1 (0.41) | — | |
| SCHEMBL14387780 | 0.58 | ALDH1A1 (0.42) | — |
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-5171860-A | Diamino isothiazole-1-oxides and 1,1 dioxides as gastric secretion inhibitors | MERCK & CO., INC. (US) | 1992-12-15 | — | — | US | disclosed |
| EP-0067436-B1 | DIAMINO ISOTHIAZOLE -1-OXIDES AND -1,1-DIOXIDES AS GASTRIC SECRETION INHIBITORS | MERCK & CO. INC. (US) | 1986-07-23 | — | — | EP | disclosed |
| EP-0067436-A2 | Diamino isothiazole -1-oxides and -1,1-dioxides as gastric secretion inhibitors | MERCK & CO. INC. (US) | 1982-12-22 | — | — | EP | disclosed |