⚠ 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 | |
|---|---|---|---|---|
| Hydrochlorthiazide SCHEMBL28060281 | 0.90 | — | — | |
| Hydrochlorthiazide SCHEMBL450348 | 0.90 | — | — | |
| Hydrochlorthiazide SCHEMBL6291 | 0.90 | — | — | |
| Hydrochlorthiazide SCHEMBL3110285 | 0.90 | — | — | |
| Hydrochlorthiazide SCHEMBL9336266 | 0.90 | — | — | |
| Hydrochlorthiazide SCHEMBL2035996 | 0.88 | — | — | |
| Hydrochlorthiazide SCHEMBL28305814 | 0.88 | — | — | |
| Hydrochlorthiazide SCHEMBL22584718 | 0.88 | — | — | |
| Hydrochlorthiazide SCHEMBL28152587 | 0.88 | — | — | |
| Hydrochlorthiazide SCHEMBL25294605 | 0.87 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110357872-A | A kind of pyrazoles oxime compound and its preparation method and application of the structure of substituted-phenyl containing thiazole | 南通大学 | 2019-10-22 | — | — | CN | disclosed |
| CN-101421391-A | High yield activation of polymer surfaces for covalent attachment of molecules | UNIV PRINCETON (US) | 2009-04-29 | — | — | CN | disclosed |
| EP-0049618-B1 | IMPROVEMENTS IN OR RELATING TO 2,4-DISUBSTITUTED THIAZOLE DERIVATIVES | ELI LILLY AND COMPANY (US) | 1985-08-14 | — | — | EP | disclosed |
| EP-0049618-A1 | Improvements in or relating to 2,4-disubstituted thiazole derivatives | ELI LILLY AND COMPANY (US) | 1982-04-14 | — | — | EP | disclosed |