⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9247348 | 0.82 | — | — | |
| SCHEMBL17844294 | 0.75 | TAS2R38 (0.43) | — | |
| SCHEMBL4739774 | 0.75 | — | — | |
| SCHEMBL3080784 | 0.75 | — | — | |
| SCHEMBL2106683 | 0.73 | — | — | |
| SCHEMBL238092 | 0.73 | — | — | |
| SCHEMBL11327636 | 0.73 | — | — | |
| SCHEMBL4740303 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL182009 | 0.72 | — | — | |
| SCHEMBL4738754 | 0.71 | KMT2A (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1262181-B1 | USE OF ISOTHIAZOLE DERIVATIVES AS UREASE INHIBITORS FOR THE TREATMENT OF HELICOBACTER PYLORI INDUCED GASTROINTESTINAL DISEASES | OTSUKA PHARMA CO LTD (JP) | 2007-05-16 | — | — | EP | disclosed |
| US-20040058952-A1 | Urease inhibitors | OTSUKA PHARMACEUTICAL CO., LTD. | 2004-03-25 | — | — | US | disclosed |
| US-20030060482-A1 | Urease inhibitors | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2003-03-27 | — | — | US | disclosed |
| EP-1262181-A1 | UREASE INHIBITORS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2002-12-04 | — | — | EP | disclosed |