Pivalate

Pivalate

SCHEMBL2354481

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

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
SLC22A16 Q86VW1 1/20 0.40
TSHR P16473 5/20 0.39
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM1 P11229 2/20 0.39
TBXA2R P21731 1/20 0.39
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CHRM5 P08912 1/20 0.38
CHRM3 P20309 1/20 0.38
CYP2C9 P11712 1/20 0.38
GALR3 O60755 1/20 0.38
BLM P54132 1/20 0.38
CPT2 P23786 1/20 0.33
CPT1A P50416 1/20 0.33
ALDH1A1 P00352 2/20 0.32
APEX1 P27695 1/20 0.32
TP53 P04637 1/20 0.32
ACACB O00763 1/20 0.31

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
Bicarbonate SCHEMBL28323258 0.85 MAPT (0.52) MAPTSLC22A16TSHRCHRM2CHRM4
Pivalate SCHEMBL2354478 0.84 SLC22A16 (0.48) MAPTSLC22A16TSHRCHRM2CHRM4
Acetic Acid SCHEMBL28210362 0.83 MAPT (0.50) MAPTSLC22A16TSHRCHRM2CHRM4
Bicarbonate SCHEMBL8320369 0.81 SLC22A16 (0.54) MAPTSLC22A16TSHRCHRM2CHRM4
SCHEMBL28831783 0.81 MAPT (0.41) MAPTSLC22A16TSHRCHRM2CHRM4
SCHEMBL9748670 0.80
SCHEMBL193840 0.80
SCHEMBL9748138 0.80
Pivalate SCHEMBL2354811 0.78 CHRM2 (0.33) TSHRCHRM2CHRM1CHRM3
Bicarbonate SCHEMBL28323257 0.78 SLC22A16 (0.56) MAPTSLC22A16TSHRCHRM2CHRM4

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 35 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
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
CN-107922564-A Trimerization catalysts from sterically hindered salts and tertiary amines having isocyanate-reactive groups 赢创德固赛有限公司 2018-04-17 CN claimed
US-9890236-B2 Trimerization catalysts from sterically hindered salts EVONIK DEGUSSA GMBH (DE) 2018-02-13 US 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-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
EP-3310827-B1 TRIMERIZATION CATALYSTS FROM STERICALLY HINDERED SALTS AND TERTIARY AMINES HAVING ISOCYANATE REACTIVE GROUPS EVONIK OPERATIONS GMBH (DE) 2021-01-06 EP disclosed
US-10759892-B2 Trimerization catalysts from sterically hindered salts and tertiary amines having isocyanate reactive groups EVONIK OPERATIONS GMBH (DE) 2020-09-01 US disclosed
EP-0351873-B1 Process for the preparation of polyisocyanate DAINIPPON INK & CHEMICALS (JP) 1995-10-04 EP disclosed
US-5070137-A PROCESS FOR THE PREPARATION OF POLYISOCYANATE DAINIPPON INK AND CHEMICALS, INC. (JP) 1991-12-03 US disclosed
EP-0351873-A2 Process for the preparation of polyisocyanate DAINIPPON INK AND CHEMICALS, INC. (JP) 1990-01-24 EP disclosed