Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
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 | |
|---|---|---|---|---|
| Hydrochlorthiazide SCHEMBL352730 | 0.90 | — | — | |
| Hydrochlorthiazide SCHEMBL677154 | 0.88 | — | — | |
| Hydrochlorthiazide SCHEMBL2496915 | 0.86 | — | — | |
| Hydrochlorthiazide SCHEMBL28250666 | 0.86 | — | — | |
| Hydrochlorthiazide SCHEMBL1422022 | 0.82 | — | — | |
| Hydrazinecarboxamide SCHEMBL28247931 | 0.82 | CYP1A2 (0.43) | — | |
| Succinamide SCHEMBL28771331 | 0.82 | — | — | |
| Hydrochlorthiazide SCHEMBL353307 | 0.82 | FFAR3 (0.30) | — | |
| Hydrochlorthiazide SCHEMBL2807097 | 0.82 | — | — | |
| Hydrochlorthiazide SCHEMBL15129168 | 0.82 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116803389-A | Application of thiazole-iodized green amine in preparation of anti-novel coronavirus drugs | 贵州大学 | 2023-09-26 | — | — | CN | claimed |
| CN-116803389-A | Application of thiazole-iodized green amine in preparation of anti-novel coronavirus drugs | 贵州大学 | 2023-09-26 | — | — | CN | disclosed |