Trimethylammonium

Trimethylammonium

SCHEMBL1232298

C=CC(=O)NCCCC.CN(C)C.CN(C)C.COS(=O)(=O)O

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of Trimethylammonium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 4/20 0.38
ZDHHC20 Q5W0Z9 3/20 0.63
ZDHHC2 Q9UIJ5 2/20 0.63
EPHX1 P07099 5/20 0.41
HTR1A P08908 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
TGM2 P21980 2/20 0.38
EPHX2 P34913 1/20 0.38
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36

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 SCHEMBL27979802 1.00 ZDHHC20 (0.63) ZDHHC20ZDHHC2EPHX1HTR1AHTR2C
Trimethylammonium SCHEMBL5961784 0.91 ZDHHC20 (0.53) ZDHHC20ZDHHC2EPHX1HTR1AHTR2C
Trimethylammonium SCHEMBL3681199 0.91 ZDHHC20 (0.53) ZDHHC20ZDHHC2EPHX1HTR1AHTR2C
Trimethylammonium SCHEMBL688148 0.87 ZDHHC20 (0.75) ZDHHC20ZDHHC2EPHX1TGM2ACHE
SCHEMBL15846309 0.85 ZDHHC20 (0.58) ZDHHC20ZDHHC2EPHX1HTR1AHTR2C
Sulfuric Acid SCHEMBL2030548 0.85 ZDHHC20 (0.79) ZDHHC20ZDHHC2EPHX1TGM2ACHE
SCHEMBL127108 0.85 ZDHHC20 (0.50) ZDHHC20ZDHHC2TGM2MEN1HTT
Trimethylammonium SCHEMBL3679047 0.84 ZDHHC20 (0.43) ZDHHC20ZDHHC2TGM2ALDH1A1TSHR
Sulfuric Acid SCHEMBL10551560 0.84 ZDHHC20 (0.76) ZDHHC20ZDHHC2EPHX1TGM2ACHE
Trimethylammonium SCHEMBL27514460 0.84 ZDHHC20 (0.89) ZDHHC20ZDHHC2EPHX1ALDH1A1TSHR

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018071462-A1 ARTICLES COMPRISING AN OIL CAPTURE POLYMER THE PROCTER & GAMBLE COMPANY (US) 2018-04-19 WO claimed
US-20180100250-A1 Articles Comprising an Oil Capture Polymer THE PROCTER & GAMBLE COMPANY 2018-04-12 US claimed
EP-1558658-B1 CONTROLLED STRUCTURE COPOLYMER COMPRISING AN AMPHOTERIC OR ZWITTERIONIC PART RHODIA CHIMIE SA (FR) 2012-12-19 EP claimed
US-8163100-B2 Synthetic microgel polymer compositions for treating and/or modifying hard surfaces RHODIA OPERATIONS (FR) 2012-04-24 US claimed
EP-1838762-B1 COMPOSITION THAT CAN FORM A GEL COMPRISING A COPOLYMER, AND USEFUL COPOLYMERS RHODIA CHIMIE SA (FR) 2012-04-18 EP claimed
US-7737237-B2 Controlled structure copolymer comprising an amphoteric or zwitterionic part PHODIA CHIMIE (FR) 2010-06-15 US claimed
US-20100004152-A1 Synthetic Microgel Polymer Compositions for Treating and/or Modifying Hard Surfaces RHODIA OPERATIONS (FR) 2010-01-07 US claimed
US-20060217285-A1 Controlled structure copolymer comprising an amphoteric or zwitterionic part RHODIA CHIMIE (FR) 2006-09-28 US claimed
US-8163100-B2 Synthetic microgel polymer compositions for treating and/or modifying hard surfaces RHODIA OPERATIONS (FR) 2012-04-24 US disclosed
US-7884056-B2 star block polymers comprising core and macromolecular branches; for controlling formation of viscoelastic gels RHODIA CHIMIE (FR) 2011-02-08 US disclosed
US-20100120637-A1 Composition That Can Form a Gel Comprising a Copolymer, and Useful Copolymers RHODIA CHIMIE (FR) 2010-05-13 US disclosed
US-20100004152-A1 Synthetic Microgel Polymer Compositions for Treating and/or Modifying Hard Surfaces RHODIA OPERATIONS (FR) 2010-01-07 US disclosed