Trimethylammonium

Trimethylammonium

SCHEMBL9319977

CCOC(=O)Oc1ccc(S(=O)(=O)O)cc1.CN(C)C

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 3/20 0.53
MMP2 P08253 2/20 0.53
MMP9 P14780 2/20 0.53
MMP14 P50281 2/20 0.53
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 7/20 0.43
CA2 P00918 1/20 0.42
PKM P14618 3/20 0.41
POLB P06746 3/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
MMP3 P08254 1/20 0.39
MEN1 O00255 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ELANE P08246 1/20 0.38

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
Trimethylammonium SCHEMBL4311419 0.98 MMP8 (0.52) MMP8MMP2MMP9MMP14GAA
SCHEMBL8536427 0.95 MMP8 (0.57) MMP8MMP2MMP9MMP14GAA
SCHEMBL8958825 0.94 MMP8 (0.56) MMP8MMP2MMP9MMP14GAA
SCHEMBL9319531 0.88 MMP2 (0.46) MMP8MMP2MMP9MMP14GAA
SCHEMBL9320886 0.86 MMP2 (0.45) MMP8MMP2MMP9MMP14KMT2A
Trimethylammonium SCHEMBL10441225 0.85 MMP8 (0.51) MMP8MMP2MMP9MMP14GAA
SCHEMBL9319993 0.85 MMP2 (0.44) MMP8MMP2MMP9MMP14KMT2A
SCHEMBL16395052 0.83 GAA (0.61) MMP8MMP2MMP9MMP14GAA
SCHEMBL7739008 0.83 MMP2 (0.59) MMP8MMP2MMP9MMP14GAA
SCHEMBL10775761 0.81 MMP2 (0.57) MMP8MMP2MMP9MMP14GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0284132-B1 Quaternary ammonium or phosphonium peroxy carbonic acid precursors and their use in detergent bleach compositions UNILEVER NV (NL) 1994-01-12 EP claimed
US-5175333-A Bleach percursors LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1992-12-29 US disclosed
US-5143641-A Bleaching composition LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1992-09-01 US disclosed
EP-0475513-A1 Process for preparing quaternary ammonium carbonate esters UNILEVER N.V. (NL) 1992-03-18 EP disclosed
EP-0475511-A2 Bleaching composition UNILEVER N.V. (NL) 1992-03-18 EP disclosed