Trimethylammonium

Trimethylammonium

SCHEMBL27596408

C=CC(=O)OC(CC)CO.CN(C)C

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.37
HPGD P15428 1/20 0.36
MAPK1 P28482 2/20 0.33
MAPT P10636 1/20 0.33
PRKCA P17252 3/20 0.33
ALDH1A1 P00352 5/20 0.32
TP53 P04637 3/20 0.32
HIF1A Q16665 3/20 0.32
CYP3A4 P08684 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.31
THRB P10828 2/20 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
SCHEMBL3164711 0.94 TSHR (0.41) TSHRHPGDMAPK1MAPTPRKCA
SCHEMBL561301 0.84 TSHR (0.45) TSHRHPGDMAPK1ALDH1A1TP53
SCHEMBL116157 0.82 TSHR (0.44) TSHRHPGDMAPK1MAPTPRKCA
Hexane SCHEMBL9703643 0.79 MAPT (0.55) TSHRHPGDMAPK1MAPTPRKCA
SCHEMBL5373235 0.79 TSHR (0.41) TSHRHPGDMAPK1MAPTPRKCA
SCHEMBL971960 0.79 TSHR (0.41) TSHRHPGDMAPK1MAPTPRKCA
SCHEMBL18123487 0.79 TSHR (0.42) TSHRHPGDMAPK1PRKCAALDH1A1
Trimethylammonium SCHEMBL1301566 0.79 TSHR (0.38) TSHRHPGDMAPK1ALDH1A1TP53
SCHEMBL28734558 0.79 TSHR (0.38) TSHRHPGDMAPK1ALDH1A1TP53
SCHEMBL6049905 0.78 HCAR2 (0.40) HPGDMAPK1MAPTPRKCAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1643084-B Self-polishing antifouling paint JOTUN AS 2013-07-03 CN disclosed
CN-1643084-A Self-polishing antifouling paint JOTUN AS (NO) 2005-07-20 CN disclosed