Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 SCHEMBL25294605 | 0.97 | — | — | |
| Hydrochlorthiazide SCHEMBL28154799 | 0.93 | — | — | |
| Hydrochlorthiazide SCHEMBL450348 | 0.93 | — | — | |
| Hydrochlorthiazide SCHEMBL9336266 | 0.93 | — | — | |
| Hydrochlorthiazide SCHEMBL6291 | 0.93 | — | — | |
| Hydrochlorthiazide SCHEMBL3110285 | 0.93 | — | — | |
| Hydrochlorthiazide SCHEMBL4297186 | 0.90 | — | — | |
| Hydrochlorthiazide SCHEMBL271146 | 0.90 | — | — | |
| Hydrochlorthiazide SCHEMBL250706 | 0.90 | — | — | |
| Hydrochlorthiazide SCHEMBL8981983 | 0.90 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8557982-B2 | Tubulin polymerisation inhibitors | BIONOMICS LIMITED (AU) | 2013-10-15 | — | — | US | disclosed |
| US-20120309768-A1 | NOVEL TUBULIN POLYMERISATION INHIBITORS | BIONOMICS LIMITED (AU) | 2012-12-06 | — | — | US | disclosed |
| CN-101516887-B | Thiazole pyrazolopyrimidines as crf1 receptor antagonists | LILLY CO ELI | 2011-11-02 | — | — | CN | disclosed |
| US-8030304-B2 | Thiazole pyrazolopyrimidines CRF1 receptor antagonists | ELI LILLY AND COMPANY (US) | 2011-10-04 | — | — | US | disclosed |
| EP-2094709-B1 | THIAZOLE PYRAZOLOPYRIMIDINES AS CRF1 RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2010-09-15 | — | — | EP | disclosed |
| US-20100222339-A1 | Thiazole pyrazolopyrimidines CRF1 receptor antagonists | ELI LILLY AND COMPANY | 2010-09-02 | — | — | US | disclosed |
| US-7727997-B2 | N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2010-06-01 | — | — | US | disclosed |
| EP-2094709-A1 | THIAZOLE PYRAZOLOPYRIMIDINES AS CRF1 RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2009-09-02 | — | — | EP | disclosed |
| CN-101516887-A | Thiazole pyrazolopyrimidines as CRF1 receptor antagonists | LILLY CO ELI (US) | 2009-08-26 | — | — | CN | disclosed |
| WO-2008036579-A1 | THIAZOLE PYRAZOLOPYRIMIDINES AS CRF1 RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2008-03-27 | — | — | WO | disclosed |
| US-20070213316-A1 | Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease | ELAN PHARMACEUTICALS, INC. | 2007-09-13 | — | — | US | disclosed |
| US-7176242-B2 | N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2007-02-13 | — | — | US | disclosed |
| CN-1759095-A | N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARM INC (US) | 2006-04-12 | — | — | CN | disclosed |
| EP-1453789-A2 | N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | Elan Pharmaceuticals, Inc. (US) | 2004-09-08 | — | — | EP | disclosed |
| US-20040171881-A1 | N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives | PHARMACIA & UPJOHN COMPANY | 2004-09-02 | — | — | US | disclosed |
| WO-2003040096-A2 | N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | ELAN PHARMACEUTICALS, INC. (US) | 2003-05-15 | — | — | WO | disclosed |