Tetrabuthylammonium

Tetrabuthylammonium

SCHEMBL2350563

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

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 3/20 0.55
SLC22A2 O15244 1/20 0.48
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CES2 O00748 4/20 0.42
CES1 P23141 4/20 0.42
DNM1 Q05193 3/20 0.41
CA2 P00918 1/20 0.41

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
Pivalate SCHEMBL8873091 0.93 SLC22A1 (0.56) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
Pivalate SCHEMBL5065605 0.92 SLC22A1 (0.46) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
Tetrabuthylammonium SCHEMBL5988879 0.89 SLC22A1 (0.52) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
Tetrabuthylammonium SCHEMBL105664 0.89 SLC22A1 (0.52) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
Tetrapropylammonium SCHEMBL2353669 0.86 SLC22A1 (0.50) SLC22A1SLC22A2CES2CES1CA2
Tetrabuthylammonium SCHEMBL106861 0.85 SLC22A1 (0.67) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
Pivalate SCHEMBL4203123 0.85 SLC22A1 (0.38) SLC22A1SLC22A2CA2
Tetrabuthylammonium SCHEMBL107845 0.84 SLC22A1 (0.52) SLC22A1SLC22A2HSD17B10CES2CES1
Pivalate SCHEMBL4922252 0.84 DNM1 (0.46) CES2CES1DNM1
Tetrabuthylammonium SCHEMBL107366 0.84 SLC22A1 (0.52) SLC22A1SLC22A2ALDH1A1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3110546-B1 METHOD FOR MAKING A POLYISOCYANURATE/POLYURETHANE FOAM EVONIK OPERATIONS GMBH (DE) 2022-03-30 EP claimed
CN-107922564-B Trimerization catalysts from sterically hindered salts and tertiary amines having isocyanate-reactive groups 赢创运营有限公司 2021-10-19 CN claimed
EP-3310827-B1 TRIMERIZATION CATALYSTS FROM STERICALLY HINDERED SALTS AND TERTIARY AMINES HAVING ISOCYANATE REACTIVE GROUPS EVONIK OPERATIONS GMBH (DE) 2021-01-06 EP claimed
US-10759892-B2 Trimerization catalysts from sterically hindered salts and tertiary amines having isocyanate reactive groups EVONIK OPERATIONS GMBH (DE) 2020-09-01 US claimed
US-10125234-B2 Catalyst compositions and methods for making foam EVONIK DEGUSSA GMBH (DE) 2018-11-13 US claimed
US-20180179318-A1 TRIMERIZATION CATALYSTS FROM STERICALLY HINDERED SALTS AND TERTIARY AMINES HAVING ISOCYANATE REACTIVE GROUPS EVONIK OPERATIONS GMBH (DE) 2018-06-28 US claimed
EP-3310827-A1 TRIMERIZATION CATALYSTS FROM STERICALLY HINDERED SALTS AND TERTIARY AMINES HAVING ISOCYANATE REACTIVE GROUPS Evonik Degussa GmbH (DE) 2018-04-25 EP claimed
EP-3110546-A1 CATALYST COMPOSITIONS AND METHODS FOR MAKING FOAM Air Products and Chemicals, Inc. (US) 2017-01-04 EP claimed
EP-1634902-B1 Low-viscosity allophanates having actinically hardenable groups ALLNEX IP S À R L (LU) 2016-12-28 EP claimed
WO-2016201675-A1 TRIMERIZATION CATALYSTS FROM STERICALLY HINDERED SALTS AND TERTIARY AMINES HAVING ISOCYANATE REACTIVE GROUPS AIR PRODUCTS AND CHEMICALS, INC. (US) 2016-12-22 WO claimed
US-7666970-B2 Radiation-curing binders and a process for their preparation BAYER MATERIALSCIENCE AG (DE) 2010-02-23 US claimed
US-20080312351-A1 Tetraalkylammonium Carboxylate Salts as Trimerization Catalysts for Spray Foam Applications AIR PRODUCTS AND CHEMICALS, INC. (US) 2008-12-18 US claimed
EP-2003157-A2 Tetraalkylammonium carboxylate salts as trimerization catalysts for spray foam applications Air Products and Chemicals, Inc. (US) 2008-12-17 EP claimed
US-20070259983-A1 Trimerization catalysts from sterically hindered salts EVONIK OPERATIONS GMBH (DE) 2007-11-08 US claimed
EP-1852448-A2 New trimerization catalysts from sterically hindered salts Air Products and Chemicals, Inc. (US) 2007-11-07 EP claimed
US-20070191570-A1 Low viscosity allophanates containing actinically curable groups ALLNEX NETHERLANDS B.V. (NL) 2007-08-16 US claimed
EP-1634902-A1 Low-viscosity allophanates having actinically hardenable groups Bayer MaterialScience AG (DE) 2006-03-15 EP claimed
EP-1634906-A1 Preparation of radiation curable binders Bayer MaterialScience AG (DE) 2006-03-15 EP claimed
US-20060051591-A1 Radiation-curing binders and a process for their preparation ALLNEX NETHERLANDS B.V. (NL) 2006-03-09 US claimed
US-5691440-A Catalyst and process for producing isocyanate trimers ARCO CHEMICAL TECHNONOGY, L.P. (US) 1997-11-25 US claimed