Trimethylammonium

Trimethylammonium

SCHEMBL9308974

CC#N.CCCCCCCCCCCCc1ccccc1.CN(C)C

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.60
SIGMAR1 Q99720 7/20 0.57
HSD17B10 Q99714 2/20 0.51
TSHR P16473 1/20 0.51
EBP Q15125 1/20 0.50
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
HTR2A P28223 2/20 0.49
ESR1 P03372 2/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
TACR2 P21452 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
SHBG P04278 1/20 0.47
TP53 P04637 1/20 0.47

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
Acetonitrile SCHEMBL28809015 0.94 KCNH2 (0.61) KCNH2SIGMAR1HSD17B10TSHRHTR2A
Trimethylammonium SCHEMBL11226106 0.91 KCNH2 (0.70) KCNH2SIGMAR1HSD17B10THRATHRB
Trimethylammonium SCHEMBL27603294 0.89 KCNH2 (0.68) KCNH2SIGMAR1HSD17B10THRATHRB
Trimethylammonium SCHEMBL28575908 0.89 KCNH2 (0.68) KCNH2SIGMAR1HSD17B10THRATHRB
Trimethylammonium SCHEMBL28342434 0.89 KCNH2 (0.68) KCNH2SIGMAR1HSD17B10THRATHRB
Trimethylammonium SCHEMBL9309216 0.88 KCNH2 (0.55) KCNH2SIGMAR1HSD17B10TSHREBP
Trimethylammonium SCHEMBL9309578 0.88 KCNH2 (0.55) KCNH2SIGMAR1HSD17B10TSHREBP
Trimethylammonium SCHEMBL27827848 0.87 KCNH2 (0.66) KCNH2SIGMAR1HSD17B10THRATHRB
Trimethylammonium SCHEMBL28195416 0.87 KCNH2 (0.66) KCNH2SIGMAR1HSD17B10THRATHRB
SCHEMBL28066910 0.87 KCNH2 (0.61) KCNH2SIGMAR1HSD17B10TSHRHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0464880-B1 Bleaching composition UNILEVER NV (NL) 1994-12-14 EP disclosed
US-5281361-A Peroxide bleach, cationic nitrile precursor to activate bleach LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1994-01-25 US disclosed
EP-0464880-A1 Bleaching composition UNILEVER N.V. (NL) 1992-01-08 EP disclosed