⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11565210 | 0.72 | — | — | |
| SCHEMBL11558132 | 0.72 | — | — | |
| SCHEMBL11450553 | 0.71 | — | — | |
| SCHEMBL452750 | 0.69 | — | — | |
| SCHEMBL953982 | 0.65 | — | — | |
| SCHEMBL14184756 | 0.65 | — | — | |
| SCHEMBL11563766 | 0.64 | — | — | |
| SCHEMBL6112098 | 0.64 | HPGD (0.52) | — | |
| SCHEMBL15747642 | 0.61 | CYP1A2 (0.33) | — | |
| SCHEMBL9652497 | 0.56 | HPGD (0.38) | — |
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-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 |
| US-4167575-A | BIOCIDES | ROHM AND HAAS COMPANY (US) | 1979-09-11 | — | — | US | disclosed |
| US-4053479-A | BIOCIDES | ROHM AND HAAS COMPANY (US) | 1977-10-11 | — | — | US | disclosed |
| US-3957808-A | BIOCIDES | ROHM AND HAAS COMPANY (US) | 1976-05-18 | — | — | US | disclosed |