⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11557583 | 0.73 | CHRM1 (0.33) | — | |
| SCHEMBL31319638 | 0.71 | — | — | |
| SCHEMBL11388150 | 0.71 | — | — | |
| SCHEMBL21720318 | 0.68 | PTGS2 (0.33) | — | |
| SCHEMBL8302264 | 0.66 | TDP1 (0.46) | — | |
| SCHEMBL11561599 | 0.64 | — | — | |
| SCHEMBL21737298 | 0.62 | — | — | |
| SCHEMBL17450949 | 0.62 | CA2 (0.42) | — | |
| SCHEMBL30903062 | 0.60 | PIK3CD (0.33) | — | |
| SCHEMBL25378985 | 0.59 | POLB (0.39) | — |
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 7 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-4262127-A | BACTERICIDES, FUNGICIDES | GIVAUDAN CORPORATION (US) | 1981-04-14 | — | — | US | 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 |