Tetrabuthylammonium

Tetrabuthylammonium

SCHEMBL1826323

CCCC[N+](CCCC)(CCCC)CCCC.O=S([O-])c1ccccc1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 3/20 0.43
EPHX2 P34913 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
DNM1 Q05193 2/20 0.39
SLC22A2 O15244 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 2/20 0.37
NAAA Q02083 1/20 0.37
CNR2 P34972 1/20 0.36

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
Tetrabuthylammonium SCHEMBL5702393 1.00 SLC22A1 (0.43) SLC22A1EPHX2PKMSMN1; SMN2CES2
Tetrabuthylammonium SCHEMBL3367468 0.84 ALDH1A1 (0.43) SLC22A1SMN1; SMN2SLC22A2TP53HTT
Tetrabuthylammonium SCHEMBL1826548 0.83 KCNH2 (0.46) SLC22A1SMN1; SMN2SLC22A2HTT
Tetrabuthylammonium SCHEMBL1826326 0.82 SLC22A1 (0.43) SLC22A1EPHX2PKMSMN1; SMN2CES2
Tetrabuthylammonium SCHEMBL1823480 0.81 EPHX1 (0.40) SLC22A1SMN1; SMN2HTTCNR2
Tetrabuthylammonium SCHEMBL5702394 0.81 SLC22A1 (0.41) SLC22A1EPHX2PKMSMN1; SMN2DNM1
Tetrabuthylammonium SCHEMBL1822799 0.79 TSHR (0.42) SLC22A1
Tetrabuthylammonium SCHEMBL1826222 0.79 MEN1 (0.38) SLC22A1SMN1; SMN2SLC22A2MEN1KMT2A
Tetramethylammonium Ion SCHEMBL3151282 0.76 HPGD (0.38) EPHX2MEN1KMT2A
Tetrabuthylammonium SCHEMBL1073228 0.76 SLC22A1 (0.67) SLC22A1EPHX2SMN1; SMN2DNM1SLC22A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5621084-A Process for removal of allyl group or allyloxycarbonyl group PFIZER INC. (US) 1997-04-15 US claimed
EP-0676236-A1 Process for removal of allyl group or allyloxycarbonyl group PFIZER INC. (US) 1995-10-11 EP claimed
EP-1684698-B1 PHOTOINITIATORS HAVING TRIARYLSULFONIUM AND ARYLSULFINATE IONS 3M INNOVATIVE PROPERTIES CO (US) 2013-10-02 EP disclosed
EP-1668039-B1 ARYLSULFINATE SALTS IN PHOTOINITIATOR SYSTEMS FOR POLYMERIZATION REACTIONS 3M INNOVATIVE PROPERTIES CO (US) 2012-12-05 EP disclosed
EP-1668038-B1 ARYLSULFINATE SALTS IN INITIATOR SYSTEMS FOR POLYMERIC REACTIONS 3M INNOVATIVE PROPERTIES CO (US) 2011-05-04 EP disclosed
US-7732633-B2 Arylsulfinate salts in photoinitiator systems for polymerization reactions 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-06-08 US disclosed
US-20090203904-A1 ARYLSULFINATE SALTS IN PHOTOINITIATOR SYSTEMS FOR POLYMERIZATION REACTIONS 3M INNOVATIVE PROPERTIES COMPANY 2009-08-13 US disclosed
US-7541389-B2 Arylsulfinate salts in photoinitiator systems for polymerization reactions 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-06-02 US disclosed
US-7465758-B2 Dental compositions and methods with arylsulfinate salts 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-12-16 US disclosed
EP-1663115-B1 DENTAL COMPOSITIONS AND METHODS WITH ARYLSULFINATE SALTS 3M INNOVATIVE PROPERTIES CO (US) 2008-09-03 EP disclosed
US-7329692-B2 Arylsulfinate salts in initiator systems for polymeric reactions 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-02-12 US disclosed
WO-2005034885-A1 PHOTOINITIATORS HAVING TRIARYLSULFONIUM AND ARYLSULFINATE IONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-04-21 WO disclosed
US-20050070624-A1 Arylsulfinate salts in photoinitiator systems for polymerization reactions 3M INNOVATIVE PROPERTIES COMPANY 2005-03-31 US disclosed
US-20050070622-A1 Arylsulfinate salts in initiator systems for polymeric reactions 3M INNOVATIVE PROPERTIES COMPANY 2005-03-31 US disclosed
US-20050070621-A1 Photoiniators having triarylsulfonium and arylsulfinate ions 3M INNOVATIVE PROPERTIES COMPANY 2005-03-31 US disclosed
US-20050070627-A1 Dental compositions and methods with arylsulfinate salts 3M INNOVATIVE PROPERTIES COMPANY 2005-03-31 US disclosed
US-5621084-A Process for removal of allyl group or allyloxycarbonyl group PFIZER INC. (US) 1997-04-15 US disclosed
EP-0676236-A1 Process for removal of allyl group or allyloxycarbonyl group PFIZER INC. (US) 1995-10-11 EP disclosed
EP-0086510-B1 PROCESS FOR THE PREPARATION OF ENAMINES; NOVEL ENAMINES AND THE USE OF ENAMINES IN THE PREPARATION OF DIHYDROPYRIDINES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1985-11-13 EP disclosed
EP-0086510-A2 Process for the preparation of enamines; novel enamines and the use of enamines in the preparation of dihydropyridines SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1983-08-24 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 (1 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-20090203904-A1 ARYLSULFINATE SALTS IN PHOTOINITIATOR SYSTEMS FOR POLYMERIZATION REACTIONS TST, ARSA, MPST SLC22A1 2315/4885EPHX2 1251/4885PKM 1736/4885

“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.