Trimethylammonium

Trimethylammonium

SCHEMBL27722697

CCOC(=O)C(CC)(CC)CC.CN(C)C.N

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.55
CYP4A11 Q02928 2/20 0.55
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PKM P14618 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
HTT P42858 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
Ammonia Solution, Strong SCHEMBL49875 0.93 CYP4F2 (0.61) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
Ammonia Solution, Strong SCHEMBL8176760 0.91 CYP4F2 (0.59) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
Bromide SCHEMBL25233680 0.91 CYP4F2 (0.59) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
SCHEMBL444076 0.91 CYP4F2 (0.63) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
SCHEMBL28872935 0.88 CYP4F2 (0.61) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
SCHEMBL11001997 0.88 CYP4F2 (0.61) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
Trimethylammonium SCHEMBL27743357 0.83 CYP4F2 (0.39) CYP4F2CYP4A11ALDH1A1LMNATSHR
Ethylenediamine SCHEMBL3498869 0.82 CYP4F2 (0.55) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
SCHEMBL504042 0.82 CYP4F2 (0.55) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
Ammonia Solution, Strong SCHEMBL28105328 0.80 CYP4F2 (0.63) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10

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-101323659-A Tetraalkylammonium carboxylate salts as trimerization catalysts for spray foam applications AIR PROD & CHEM (US) 2008-12-17 CN claimed
CN-101323659-A Tetraalkylammonium carboxylate salts as trimerization catalysts for spray foam applications AIR PROD & CHEM (US) 2008-12-17 CN disclosed