Trimethylammonium

Trimethylammonium

SCHEMBL10693408

CN(C)C.NS(=O)(=O)OCC1CO1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.54
CA1 P00915 7/20 0.38
ALDH1A1 P00352 3/20 0.38
PKM P14618 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
CA9 Q16790 3/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9388737 0.92
Trimethylammonium SCHEMBL8508935 0.80 ALDH1A1 (0.39) CA2ALDH1A1PKMLMNAGAA
Trimethylammonium SCHEMBL27839145 0.76 ALDH1A1 (0.38) CA2ALDH1A1PKMLMNAGAA
SCHEMBL28081433 0.74 ALDH1A1 (0.43) CA2ALDH1A1PKMLMNAGAA
SCHEMBL1556221 0.74
SCHEMBL28081352 0.74 ALDH1A1 (0.43) CA2ALDH1A1PKMLMNAGAA
SCHEMBL1556220 0.74
SCHEMBL1556223 0.74
SCHEMBL10078504 0.73 ALDH1A1 (0.42) CA2ALDH1A1PKMLMNAGAA
SCHEMBL7470133 0.72 SMN1; SMN2 (0.42) CA2ALDH1A1PKMLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0277633-A2 Paper-making method and a starch ether additive therefor NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1988-08-10 EP disclosed