N,N-Dimethylethanaminium

N,N-Dimethylethanaminium

SCHEMBL447224

C=C(CCC)C(=O)O.CCN(C)C

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 3/20 0.40
HDAC3 O15379 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
TET2 Q6N021 4/20 0.34
EGFR P00533 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
PGGT1B P53609 1/20 0.32
TET3 O43151 1/20 0.32
TET1 Q8NFU7 1/20 0.32
TBXAS1 P24557 1/20 0.32
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
Trimethylammonium SCHEMBL180002 0.91 HDAC3 (0.43) FFAR3HDAC3HDAC1HDAC2HDAC8
Trimethylammonium SCHEMBL29766120 0.91 HDAC3 (0.43) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL7783889 0.89 FFAR3 (0.39) FFAR3HDAC3HDAC1HDAC2HDAC8
Trimethylammonium SCHEMBL154411 0.88 HDAC3 (0.42) FFAR3HDAC3HDAC1HDAC2HDAC8
Trimethylammonium SCHEMBL1424158 0.88 HDAC3 (0.42) FFAR3HDAC3HDAC1HDAC2HDAC8
Trimethylammonium SCHEMBL964726 0.88 HDAC3 (0.42) FFAR3HDAC3HDAC1HDAC2HDAC8
Trimethylammonium SCHEMBL136533 0.88 HDAC3 (0.42) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL17818 0.88
Hydrochloric Acid SCHEMBL7060187 0.87 FFAR3 (0.37) FFAR3HDAC3HDAC1HDAC2HDAC8
N,N-Dimethylethanaminium SCHEMBL7057507 0.87 ALDH1A1 (0.45) CES2CES1ALDH1A1TSHRTHRB

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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1825884-B1 Brightening and/or colouring agent with reduced potential for irritation HENKEL AG & CO KGAA (DE) 2017-08-16 EP claimed
EP-1813260-B1 Bleaching and/or colouring agent with reduced potential for irritation HENKEL AG & CO KGAA (DE) 2017-05-31 EP claimed
EP-1687348-B1 COPOLYMERS COMPRISING POLYALKYLENE OXIDE GROUPS AND QUATERNARY NITROGEN ATOMS BASF SE (DE) 2008-11-12 EP claimed
EP-1825884-A2 Brightening and/or colouring agent with reduced potential for irritation Henkel Kommanditgesellschaft auf Aktien (DE) 2007-08-29 EP claimed
EP-1813260-A2 Bleaching and/or colouring agent with reduced potential for irritation Henkel Kommanditgesellschaft auf Aktien (DE) 2007-08-01 EP claimed
US-20230226518-A1 MODIFIED CLAY SORBENTS WITH MULTIFUNCTIONAL QUATERNARY AMMONIUM COMPOUNDS AND MONO-QUATERANRY AMMONIUM COMPOUNDS AND METHODS OF SORBING PER- AND POLYFLUOROALKYL SUBSTANCES (PFAS) FROM CONTAMINATED SAMPLES WITH THE MODIFIED CLAY SORBENTS AMCOL INTERNATIONAL CORPORATION 2023-07-20 US disclosed
EP-4153350-A1 MODIFIED CLAY SORBENTS WITH MULTIFUNCTIONAL QUATERNARY AMMONIUM COMPOUNDS AND MONO-QUATERANRY AMMONIUM COMPOUNDS AND METHODS OF SORBING PER- AND POLYFLUOROALKYL SUBSTANCES (PFAS) FROM CONTAMINATED SAMPLES WITH THE MODIFIED CLAY SORBENTS Specialty Minerals (Michigan) Inc. (US) 2023-03-29 EP disclosed
EP-1825884-B1 Brightening and/or colouring agent with reduced potential for irritation HENKEL AG & CO KGAA (DE) 2017-08-16 EP disclosed
EP-1813260-B1 Bleaching and/or colouring agent with reduced potential for irritation HENKEL AG & CO KGAA (DE) 2017-05-31 EP disclosed
EP-3052197-A1 PERFORMANCE-ENHANCED HAIR TREATMENT COMPOSITION Henkel AG & Co. KGaA (DE) 2016-08-10 EP disclosed
US-20160199282-A1 PERFORMANCE-ENHANCED HAIR TREATMENT COMPOSITION HENKEL AG & CO. KGAA (DE) 2016-07-14 US disclosed
EP-2164456-B1 HAIR TREATMENT AGENT CONTAINING OLIGO-PEPTIDES HENKEL AG & CO KGAA (DE) 2016-05-11 EP disclosed
EP-1813260-A2 Bleaching and/or colouring agent with reduced potential for irritation Henkel Kommanditgesellschaft auf Aktien (DE) 2007-08-01 EP disclosed
US-20070065503-A1 Active substance-doped absorbing polymer particles, composition comprising polycondensate matrix and absorbant polymer for release of a wound treatment substance STOCKHAUSEN GMBH (DE) 2007-03-22 US disclosed
US-RE39450-E1 Polyvinylpyrridinium derivatives as anti-dye transfer agents NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CO (US) 2006-12-26 US disclosed
EP-1167504-A1 Polyvinylpyrridinium derivatives as anti-dye transfer agents National Starch and Chemical Investment Holding Corporation (US) 2002-01-02 EP disclosed
US-6329324-B1 WATER IN OIL POLYMER DISPERSION WITH ACTIVE AGENT STOCKHAUSEN GMBH & CO. KG (DE) 2001-12-11 US disclosed
US-6191098-B1 ANIOINIC SURFACTANTS AND AMPHOTERIC SURFACTANTS NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION 2001-02-20 US disclosed
US-5846924-A Use of vinylpyrrolidone and vinylimidazole copolymers as detergent additives, novel polymers of vinylpyrrolidone and of vinylimidazole, and preparation thereof BASF AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed
US-5627151-A WASHING TEXTILES USING DYE TRANSFER INHIBITOR BASF AKTIENGESELLSCHAFT (DE) 1997-05-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160199282-A1 PERFORMANCE-ENHANCED HAIR TREATMENT COMPOSITION KRT18, YWHAZ, PHYKPL FFAR3 573/4885HDAC3 941/4885HDAC1 576/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.