Pivalate

Pivalate

SCHEMBL2354478

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

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A16 Q86VW1 1/20 0.48
CPT2 P23786 1/20 0.41
CPT1A P50416 1/20 0.41
MAPT P10636 3/20 0.39
TSHR P16473 2/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM1 P11229 2/20 0.38
TBXA2R P21731 1/20 0.38
LMNA P02545 2/20 0.36
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
CYP2C9 P11712 1/20 0.36
GALR3 O60755 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
HRH1 P35367 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
Pivalate SCHEMBL17025968 0.88 SLC22A16 (0.39) SLC22A16CPT2CPT1AMAPTTSHR
Bicarbonate SCHEMBL28323257 0.86 SLC22A16 (0.56) SLC22A16CPT2CPT1AMAPTTSHR
Trichloroacetic Acid SCHEMBL9011588 0.85 SLC22A16 (0.47) SLC22A16CPT2CPT1AMAPTTSHR
Pivalate SCHEMBL2354481 0.84 MAPT (0.45) SLC22A16CPT2CPT1AMAPTTSHR
Bicarbonate SCHEMBL8320369 0.84 SLC22A16 (0.54) SLC22A16CPT2CPT1AMAPTTSHR
Acetic Acid SCHEMBL5670671 0.84 SLC22A16 (0.54) SLC22A16CPT2CPT1AMAPTTSHR
Acetic Acid SCHEMBL11505398 0.82 SLC22A16 (0.52) SLC22A16CPT2CPT1AMAPTTSHR
Acetic Acid SCHEMBL11505402 0.82 SLC22A16 (0.52) SLC22A16CPT2CPT1AMAPTTSHR
Acetic Acid SCHEMBL31405638 0.82 SLC22A16 (0.52) SLC22A16CPT2CPT1AMAPTTSHR
Pivalate SCHEMBL9012070 0.82 BBOX1 (0.46) SLC22A16LMNAMEN1KMT2ABBOX1

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 52 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
US-9890236-B2 Trimerization catalysts from sterically hindered salts EVONIK DEGUSSA GMBH (DE) 2018-02-13 US 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
EP-1634906-B1 Preparation of radiation curable binders ALLNEX IP S R L (LU) 2014-08-06 EP 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-20100105792-A1 RADIATION-CURING BINDERS AND A PROCESS FOR THEIR PREPARATION BAYER MATERIALSCIENCE AG 2010-04-29 US claimed
US-7666970-B2 Radiation-curing binders and a process for their preparation BAYER MATERIALSCIENCE AG (DE) 2010-02-23 US 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
US-20060051591-A1 Radiation-curing binders and a process for their preparation ALLNEX NETHERLANDS B.V. (NL) 2006-03-09 US claimed