Trimethylammonium

Trimethylammonium

SCHEMBL9503885

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

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PKM P14618 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
GLA P06280 1/20 0.31
MAPT P10636 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
SCHEMBL9191856 0.92
SCHEMBL9191213 0.92
SCHEMBL169655 0.92
SCHEMBL27999107 0.92 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1PRMT5WDR77
Propane SCHEMBL6827223 0.90 SMN1; SMN2 (0.39) ALDH1A1TSHRMAPK1PRMT5WDR77
Benzene SCHEMBL8919088 0.86 TDP1 (0.42) ALDH1A1TSHRPRMT5WDR77SMN1; SMN2
Trimethylammonium SCHEMBL9503898 0.83 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1PRMT5WDR77
SCHEMBL9453864 0.78 ALDH1A1 (0.34) ALDH1A1PRMT5WDR77
SCHEMBL169656 0.73 TSHR (0.42) ALDH1A1TSHRMAPK1PRMT5WDR77
SCHEMBL9191858 0.73 TSHR (0.42) ALDH1A1TSHRMAPK1PRMT5WDR77

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