Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Hydrochlorthiazide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL9955552 | 0.84 | CA5A (0.32) | — | |
| Thiosulfuric Acid SCHEMBL29027188 | 0.80 | — | — | |
| Hydrochlorthiazide SCHEMBL28617470 | 0.79 | — | — | |
| Hydrochlorthiazide SCHEMBL15510491 | 0.77 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL28060350 | 0.77 | ALDH1A1 (0.43) | — | |
| Sulfuric Acid SCHEMBL15510720 | 0.77 | — | — | |
| Hydrochlorthiazide SCHEMBL2035996 | 0.77 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL8553635 | 0.75 | — | — | |
| Hydrochlorthiazide SCHEMBL7553499 | 0.75 | — | — | |
| Sulfamide SCHEMBL4012488 | 0.75 | CA1 (0.32) | — |
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-7537620-B2 | Agent for coloring keratin fibers | WELLA AG (DE) | 2009-05-26 | — | — | US | disclosed |
| US-7431741-B2 | Brightening colorant with indolythiazolium dyes | WELLA AG (DE) | 2008-10-07 | — | — | US | disclosed |
| US-20070258928-A1 | Agent for Coloring Keratin Fibers | HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) | 2007-11-08 | — | — | US | disclosed |
| US-20070180631-A1 | Brightening colorant with indolythiazolium dyes | Wella GmbH (DE) | 2007-08-09 | — | — | US | disclosed |
| EP-1730239-A1 | LIGHTENING COLORANT CONTAINING INDOLYL THIAZOLIUM AZO DYES | Wella Aktiengesellschaft (DE) | 2006-12-13 | — | — | EP | disclosed |
| WO-2005080507-A1 | LIGHTENING COLORANT CONTAINING INDOLYL THIAZOLIUM AZO DYES | WELLA AKTIENGESELLSCHAFT (DE) | 2005-09-01 | — | — | WO | disclosed |