Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hydrochloric Acid. 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL20481635 | 0.84 | — | — | |
| SCHEMBL1905021 | 0.83 | — | — | |
| SCHEMBL900595 | 0.83 | — | — | |
| SCHEMBL1943136 | 0.83 | — | — | |
| SCHEMBL8729098 | 0.81 | — | — | |
| SCHEMBL22406221 | 0.81 | — | — | |
| Perchlorate SCHEMBL5454038 | 0.80 | — | — | |
| Acetic Acid SCHEMBL6600577 | 0.78 | — | — | |
| SCHEMBL4047529 | 0.78 | — | — | |
| SCHEMBL3291410 | 0.77 | — | — |
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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3589615-B1 | PYRIDYL DERIVATIVES AS BROMODOMAIN INHIBITORS | GLAXOSMITHKLINE IP NO 2 LTD (GB) | 2021-11-10 | — | — | EP | disclosed |
| US-10934272-B2 | Pyridyl derivatives as bromodomain inhibitors | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) | 2021-03-02 | — | — | US | disclosed |
| US-10849897-B2 | Pyridyl derivatives as bromodomain inhibitors | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2020-12-01 | — | — | US | disclosed |
| US-10844015-B2 | Pyridine dicarboxamide derivatives as bromodomain inhibitors | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) | 2020-11-24 | — | — | US | disclosed |
| EP-3440069-B1 | PYRIDYL DERIVATIVES AS BROMODOMAIN INHIBITORS | GLAXOSMITHKLINE IP NO 2 LTD (GB) | 2020-10-28 | — | — | EP | disclosed |
| EP-3231798-B1 | THIAZOLE INTERMEDIATES USEFUL IN THE PREPARATION OF RAF KINASE INHIBITORS | SUNESIS PHARMACEUTICALS INC (US) | 2019-10-09 | — | — | EP | disclosed |
| US-20190202786-A1 | PYRIDINE DICARBOXAMIDE DERIVATIVES AS BROMODOMAIN INHIBITORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) | 2019-07-04 | — | — | US | disclosed |
| US-20190119248-A1 | PYRIDYL DERIVATIVES AS BROMODOMAIN INHIBITORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) | 2019-04-25 | — | — | US | disclosed |
| US-9920048-B2 | Substituted pyrimidines for inhibiting Raf kinase activity | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2018-03-20 | — | — | US | disclosed |
| EP-3231798-A1 | THIAZOLE INTERMEDIATES USEFUL IN THE PREPARATION OF RAF KINASE INHIBITORS | Sunesis Pharmaceuticals, Inc. (US) | 2017-10-18 | — | — | EP | disclosed |
| EP-2100895-A1 | TRICYCLIC COMPOUND AND MEDICAL USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-09-16 | — | — | EP | disclosed |
| EP-2098513-A1 | TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-09-09 | — | — | EP | disclosed |
| US-20090036419-A1 | COMPOUNDS USEFUL AS RAF KINASE INHIBITORS | SUNESIS PHARMACEUTICALS, INC. (US) | 2009-02-05 | — | — | US | disclosed |
| US-20090005359-A1 | Heterocyclic Compounds Useful as RAF Kinase Inhibitors | SUNESIS PHARMACEUTICALS, INC (US) | 2009-01-01 | — | — | US | disclosed |
| US-20080182857-A1 | Triazole Derivatives | MERCK PATENT GMBH (DE) | 2008-07-31 | — | — | US | disclosed |
| US-20060194811-A1 | Pyrimidine derivatives | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2006-08-31 | — | — | US | disclosed |
| EP-1595869-A1 | PYRIMIDINE DERIVATIVES | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2005-11-16 | — | — | EP | disclosed |
| US-20040235667-A1 | Pyrazolyl-substituted thienyloxypyridines | BASF AKTIENGESELLSCHAFT (DE) | 2004-11-25 | — | — | US | disclosed |
| US-20040198609-A1 | 4-alkyl-substituted thienyloxy-pyridines | BASF AKTIENGESELLSCHAFT (DE) | 2004-10-07 | — | — | US | disclosed |
| US-6265506-B1 | AMORPHOUS COPOLYMERS | THE B. F. GOODRICH COMPANY | 2001-07-24 | — | — | US | disclosed |