Tributylmethylammonium

Tributylmethylammonium

SCHEMBL1337147

CCCC[N+](C)(CCCC)CCCC.O=S(=O)([O-])[O-].[H+]

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Tributylmethylammonium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 3/20 0.40
SLC22A1 O15245 2/20 0.39
DNM1 Q05193 7/20 0.39
LSS P48449 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
GRK2 P25098 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RECQL P46063 2/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
EPHX2 P34913 1/20 0.35
BLM P54132 1/20 0.35
HTT P42858 1/20 0.35
SLC22A2 O15244 1/20 0.33

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
Tributylmethylammonium SCHEMBL1627725 0.97 BBOX1 (0.41) BBOX1SLC22A1DNM1LSSMEN1
Tributylmethylammonium SCHEMBL3392205 0.93 LMNA (0.39) BBOX1SLC22A1DNM1LSSMEN1
Sulfuric Acid SCHEMBL6257862 0.91 LSS (0.50) SLC22A1DNM1LSSKMT2ATSHR
Sulfuric Acid SCHEMBL6054967 0.91 LSS (0.50) SLC22A1DNM1LSSKMT2ATSHR
Sulfuric Acid SCHEMBL1256454 0.91 LSS (0.50) SLC22A1DNM1LSSKMT2ATSHR
Sulfuric Acid SCHEMBL6261097 0.91 LSS (0.50) SLC22A1DNM1LSSKMT2ATSHR
Sulfuric Acid SCHEMBL2544112 0.91 LSS (0.50) SLC22A1DNM1LSSKMT2ATSHR
Sulfuric Acid SCHEMBL6405436 0.91 LSS (0.50) SLC22A1DNM1LSSKMT2ATSHR
Tributylmethylammonium SCHEMBL1618259 0.90 BBOX1 (0.40) BBOX1SLC22A1DNM1LSSMEN1
Sulfuric Acid SCHEMBL4151447 0.88 LSS (0.52) SLC22A1DNM1LSSKMT2ATSHR

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060216828-A1 Rapid-response reversible dry surface CO2 detector MERCURY ENTERPRISE, INC. 2006-09-28 US claimed
US-9139547-B2 Multistage process for preparing alkali metal salts of specific 4-hydroxy-2-oxo-2,5-dihydrofuran-3-carboxylic esters BAYER CROPSCIENCE AG (DE) 2015-09-22 US disclosed
US-20150210662-A1 MULTISTAGE PROCESS FOR PREPARING ALKALI METAL SALTS OF SPECIFIC 4-HYDROXY-2-OXO-2,5-DIHYDROFURAN-3-CARBOXYLIC ESTERS BAYER CROPSCIENCE AG (DE) 2015-07-30 US disclosed
US-8609868-B2 Process for preparing dithiine-tetracarboxy-diimides BAYER CROPSCIENCE AG (DE) 2013-12-17 US disclosed
US-20110275831-A1 Process for Preparing Dithiine-tetracarboxy-diimides BAYER CROPSCIENCE AG (DE) 2011-11-10 US disclosed
US-7578971-B2 methyltricaprylylammonium phenoxide as phase transfer agent, pH sensitive color indicator is thymol blue, and ethoxylated alcohol is octylphenol ethoxylate; polyethersulfone as a solid support; excellent resistance to humidity; located in an esophageal breathing system MERCURY ENTERPRISES, INC. (US) 2009-08-25 US disclosed
US-20060216828-A1 Rapid-response reversible dry surface CO2 detector MERCURY ENTERPRISE, INC. 2006-09-28 US disclosed
EP-1337583-B1 FLUOROELASTOMER COMPOSITION HAVING EXCELLENT PROCESSABILITY AND LOW TEMPERATURE PROPERTIES DUPONT DOW ELASTOMERS LLC (US) 2005-07-13 EP disclosed
EP-1351927-A2 SOLVENTLESS SYNTHESIS OF HYDROPHILIC PHENOL ESTER DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 2003-10-15 EP disclosed
EP-1337583-A1 FLUOROELASTOMER COMPOSITION HAVING EXCELLENT PROCESSABILITY AND LOW TEMPERATURE PROPERTIES DUPONT DOW ELASTOMERS L.L.C. (US) 2003-08-27 EP disclosed
EP-0577746-B1 IMPROVED PROCESS FOR PREPARING PHENYL CHLOROACETATE DU PONT (US) 1996-02-28 EP disclosed
EP-0579738-A1 IMPROVED PROCESS FOR PREPARING PHENYL ESTERS OF SUBSTITUTED ACIDS. DU PONT (US) 1994-01-26 EP disclosed
EP-0577746-A1 IMPROVED PROCESS FOR PREPARING PHENYL CHLOROACETATE. DU PONT (US) 1994-01-12 EP disclosed
US-5235077-A PROCESS FOR PREPARING PHENYL ESTERS OF SUBSTITUTED ACIDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-08-10 US disclosed
WO-1992016492-A1 IMPROVED PROCESS FOR PREPARING PHENYL ESTERS OF SUBSTITUTED ACIDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-01 WO disclosed
WO-1992016491-A1 IMPROVED PROCESS FOR PREPARING PHENYL CHLOROACETATE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-01 WO disclosed
US-5069828-A PROCESS FOR PREPARING BENZENESULFONATE SALTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-12-03 US disclosed
US-4985180-A Process for preparing phenyl esters of substituted acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-15 US disclosed
EP-0402048-A1 Improved process for preparing benzenesulfonate salts E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-12-12 EP disclosed
EP-0402047-A1 Improved process for preparing phenyl esters of substituted acids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-12-12 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150210662-A1 MULTISTAGE PROCESS FOR PREPARING ALKALI METAL SALTS OF SPECIFIC 4-HYDROXY-2-OXO-2,5-DIHYDROFURAN-3-CARBOXYLIC ESTERS ME1, MDH2, ME3 BBOX1 3007/4885SLC22A1 1055/4885DNM1 470/4885
US-20110275831-A1 Process for Preparing Dithiine-tetracarboxy-diimides DTYMK, QDPR, TST BBOX1 667/4885SLC22A1 4223/4885DNM1 666/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.