Trimethylammonium

Trimethylammonium

SCHEMBL29142248

CC(O)C(=O)OCCO.CN(C)C

nearest known ligand 0.40

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.38
CHRNA4 P43681 7/20 0.38
CHRNB4 P30926 4/20 0.38
CHRNA3 P32297 4/20 0.38
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ACHE P22303 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 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
SCHEMBL536424 0.93
SCHEMBL18403543 0.93
Ammonia Solution, Strong SCHEMBL4379983 0.91 TSHR (0.39) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
Ethylene SCHEMBL27586197 0.88 TSHR (0.43) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
Methylene Chloride SCHEMBL29271231 0.86 TSHR (0.37) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
Ethylene Glycol SCHEMBL3672487 0.83 TP53 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL821873 0.80 MEN1 (0.48) TSHRALDH1A1MEN1KMT2ATP53
SCHEMBL671359 0.80 TP53 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
Methacrylic Acid SCHEMBL29050102 0.79 TSHR (0.38) TSHRALDH1A1ACHEMEN1KMT2A
SCHEMBL3460925 0.79 ACHE (0.36) ALDH1A1ACHEMEN1KMT2ATP53

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-119403882-A Polysiloxane composition 默克专利有限公司 2025-02-07 CN disclosed
CN-117440991-A Polysiloxane composition 默克专利有限公司 2024-01-23 CN disclosed