SCHEMBL2345842

SCHEMBL2345842

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A16 Q86VW1 1/20 0.44
CPT2 P23786 1/20 0.37
CPT1A P50416 1/20 0.37
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
TSHR P16473 3/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM1 P11229 2/20 0.34
TBXA2R P21731 1/20 0.34
BBOX1 O75936 3/20 0.33
LMNA P02545 2/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
CYP1A2 P05177 1/20 0.33
HRH1 P35367 1/20 0.33
CRAT P43155 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
SCHEMBL2347106 0.83 BBOX1 (0.32) SLC22A16CHRM2CHRM1BBOX1CHRM3
SCHEMBL28831783 0.82 MAPT (0.41) SLC22A16CPT2CPT1AMAPTTSHR
Pivalate SCHEMBL2354478 0.82 SLC22A16 (0.48) SLC22A16CPT2CPT1AMAPTMEN1
Bicarbonate SCHEMBL28323257 0.81 SLC22A16 (0.56) SLC22A16CPT2CPT1AMAPTMEN1
Trichloroacetic Acid SCHEMBL9011588 0.80 SLC22A16 (0.47) SLC22A16CPT2CPT1AMAPTMEN1
Propionic Acid SCHEMBL11657756 0.79 SLC22A16 (0.56) SLC22A16CPT2CPT1AMAPTMEN1
Acetic Acid SCHEMBL5670671 0.79 SLC22A16 (0.54) SLC22A16CPT2CPT1AMAPTMEN1
SCHEMBL4920283 0.79 BBOX1 (0.40) SLC22A16CPT2CPT1AMEN1KMT2A
Bicarbonate SCHEMBL8320369 0.79 SLC22A16 (0.54) SLC22A16CPT2CPT1AMAPTMEN1
Tetramethylammonium Ion SCHEMBL2348519 0.79 BBOX1 (0.38) SLC22A16BBOX1

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 33 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
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
WO-2015130939-A1 CATALYST COMPOSITIONS AND METHODS FOR MAKING FOAM AIR PRODUCTS AND CHEMICALS, INC. (US) 2015-09-03 WO claimed
US-20150240023-A1 Catalyst Compositions and Methods for Making Foam AIR PRODUCTS AND CHEMICALS, INC. (US) 2015-08-27 US claimed
US-20130341562-A1 TRIMERIZATION CATALYSTS FROM STERICALLY HINDERED SALTS AIR PRODUCTS AND CHEMICALS INC. (US) 2013-12-26 US claimed
US-8530534-B2 Trimerization catalysts from sterically hindered salts AIR PRODUCTS AND CHEMICALS, INC. (US) 2013-09-10 US claimed
EP-1852448-B1 New trimerization catalysts from sterically hindered salts AIR PROD & CHEM (US) 2011-08-31 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
EP-3110546-B1 METHOD FOR MAKING A POLYISOCYANURATE/POLYURETHANE FOAM EVONIK OPERATIONS GMBH (DE) 2022-03-30 EP disclosed
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 disclosed
US-20070259983-A1 Trimerization catalysts from sterically hindered salts EVONIK OPERATIONS GMBH (DE) 2007-11-08 US disclosed
EP-1852448-A2 New trimerization catalysts from sterically hindered salts Air Products and Chemicals, Inc. (US) 2007-11-07 EP disclosed