Trimethylammonium

Trimethylammonium

SCHEMBL9503898

CN(C)C.O=[N+](OCC1CO1)OCC1CO1

nearest known ligand 0.40

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.40
TSHR P16473 5/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 2/20 0.34
TP53 P04637 4/20 0.33
CYP3A4 P08684 2/20 0.33
GLA P06280 1/20 0.32
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
HIF1A Q16665 2/20 0.31
PKM P14618 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARG P37231 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30

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
SCHEMBL9191220 0.91 TSHR (0.42) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL9191858 0.91 TSHR (0.42) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL169656 0.91 TSHR (0.42) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
Trimethylammonium SCHEMBL9503885 0.83 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL9191856 0.73
SCHEMBL9191213 0.73
SCHEMBL27999107 0.73 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL169655 0.73
Propane SCHEMBL6827223 0.72 SMN1; SMN2 (0.39) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
Trimethylammonium SCHEMBL27470410 0.72 TSHR (0.54) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1

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-0187281-B1 NOVEL CARBOXYLATE POLYMERS AND PROCESSES FOR THEIR PREPARATION AND USE RHONE-POULENC SPECIALTY CHEMICALS CO. (US) 1993-06-23 EP disclosed
US-4808668-A SEWAGE TREATMENT FLOCCULANT ALLIED-SIGNAL INC. (US) 1989-02-28 US disclosed
EP-0187281-A2 Novel carboxylate polymers and processes for their preparation and use RHONE-POULENC SPECIALTY CHEMICALS CO. (US) 1986-07-16 EP disclosed