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 | |
|---|---|---|---|---|
| Phosphine SCHEMBL27979681 | 0.97 | — | — | |
| SCHEMBL305550 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL27707216 | 0.94 | ALDH1A1 (0.32) | — | |
| Bromide SCHEMBL18762448 | 0.93 | — | — | |
| Iodide SCHEMBL22034509 | 0.93 | — | — | |
| Phosphine SCHEMBL27780916 | 0.90 | — | — | |
| Iodide SCHEMBL31302818 | 0.87 | ALDH1A1 (0.32) | — | |
| SCHEMBL27979679 | 0.84 | ALDH1A1 (0.30) | — | |
| Sulfuric Acid SCHEMBL7127658 | 0.80 | NLRP3 (0.33) | — | |
| Phosphoric Acid SCHEMBL25316929 | 0.78 | BBOX1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1572631-B1 | ORGANIC ACTIVATOR | PROCTER & GAMBLE (US) | 2009-04-15 | — | — | EP | disclosed |
| US-20070245498-A1 | Diethyl Methyl Ammonium Nitriles and Detergents and Cleaning Agents Containing Said Ammonium Nitriles | REINHARDT GERD | 2007-10-25 | — | — | US | disclosed |
| EP-1309542-B1 | METHOD FOR PRODUCING HYDROLYSIS-STABLE AMMONIUM NITRILES | CLARIANT PRODUKTE DEUTSCHLAND (DE) | 2006-05-31 | — | — | EP | disclosed |
| US-7030075-B2 | Organic activator | PROCTER & GAMBLE COMPANY (US) | 2006-04-18 | — | — | US | disclosed |
| US-20060074001-A1 | Organic activator | MIRACLE GREOGORY S | 2006-04-06 | — | — | US | disclosed |
| US-7005534-B2 | Method for producing hydrolysis-stable ammonium nitriles | CLARIANT GMBH (DE) | 2006-02-28 | — | — | US | disclosed |
| EP-1572631-A2 | ORGANIC ACTIVATOR | The Procter & Gamble Company (US) | 2005-09-14 | — | — | EP | disclosed |
| EP-1165737-B1 | DETERGENTS CONTAINING AN ENZYME AND BLEACH ACTIVATOR AGENTS | HENKEL KGAA (DE) | 2005-05-11 | — | — | EP | disclosed |
| WO-2004060856-A2 | ORGANIC ACTIVATOR | THE PROCTER & GAMBLE COMPANY (US) | 2004-07-22 | — | — | WO | disclosed |
| US-20040142844-A1 | bleach activators; N-hydroxyalkyl quaternary ammonium acetonitriles, e.g., 1-cyano-N,N-dimethyl-N-(3-hydroxypropyl)methanaminium chloride or quaternary ammonium acetonitrile inner salts, e.g., 5-carboxy-N,N-dimethyl-N-(cyanomethyl)-1-pentanaminium | THE PROCTER & GAMBLE COMPANY | 2004-07-22 | — | — | US | disclosed |
| US-20040059148-A1 | Method for producing hydrolysis-stable ammonium nitriles | CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) | 2004-03-25 | — | — | US | disclosed |
| EP-1309542-A2 | METHOD FOR PRODUCING HYDROLYSIS-STABLE AMMONIUM NITRILES | Clariant GmbH (DE) | 2003-05-14 | — | — | EP | disclosed |
| US-6391838-B1 | MIXTURE OF QUATERNARY AMMONIUM COMPOUND, ENZYMES, BLEACHES AND PEROXYCARBOXYLIC ACID | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2002-05-21 | — | — | US | disclosed |
| WO-2002012175-A2 | METHOD FOR PRODUCING HYDROLYSIS-STABLE AMMONIUM NITRILES | CLARIANT GMBH (DE) | 2002-02-14 | — | — | WO | disclosed |
| EP-1165737-A2 | DETERGENTS CONTAINING AN ENZYME AND BLEACH ACTIVATOR AGENTS | Henkel Kommanditgesellschaft auf Aktien (DE) | 2002-01-02 | — | — | EP | disclosed |
| WO-2000060036-A2 | DETERGENTS CONTAINING AN ENZYME AND BLEACH ACTIVATOR AGENTS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2000-10-12 | — | — | WO | disclosed |