Pivalate

Pivalate

SCHEMBL4928422

CC(C)(C)C(=O)O.CC(C)C(C)(C)N

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
ARG1 P05089 2/20 0.36
ARG2 P78540 2/20 0.36
MAPT P10636 1/20 0.35
PTGS1 P23219 1/20 0.35
GGT1 P19440 1/20 0.34
GRM2 Q14416 2/20 0.33
TP53 P04637 1/20 0.33
SLC7A5 Q01650 1/20 0.33
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
NOS3 P29474 1/20 0.32
GRM3 Q14832 1/20 0.31
BLM P54132 1/20 0.30

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 SCHEMBL1896980 0.88 CYP1A2 (0.39) CYP2D6CYP1A2ALDH1A1TSHRARG1
Bicarbonate SCHEMBL1896976 0.88 CYP1A2 (0.39) CYP2D6CYP1A2ALDH1A1TSHRARG1
Pivalate SCHEMBL1831112 0.86 CYP2D6 (0.40) CYP2D6CYP1A2ALDH1A1TSHRARG1
Acetic Acid SCHEMBL3691254 0.85 FFAR3 (0.44) CYP2D6CYP1A2ALDH1A1TSHRARG1
Trifluoroacetic Acid SCHEMBL20479433 0.83 CYP1A2 (0.39) CYP2D6CYP1A2ALDH1A1TSHRARG1
SCHEMBL5574368 0.82 ALDH1A1 (0.40) CYP2D6CYP1A2ALDH1A1TSHRARG1
Trifluoroacetic Acid SCHEMBL5608580 0.81 CYP1A2 (0.38) CYP2D6CYP1A2ALDH1A1TSHRARG1
Trifluoroacetic Acid SCHEMBL5608578 0.81 CYP1A2 (0.38) CYP2D6CYP1A2ALDH1A1TSHRARG1
Pivalate SCHEMBL28262239 0.81 ALDH1A1 (0.50) CYP2D6CYP1A2ALDH1A1TSHRARG1
Lactic Acid SCHEMBL5570499 0.80 TP53 (0.61) CYP2D6CYP1A2ALDH1A1TSHRMAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20080312351-A1 Tetraalkylammonium Carboxylate Salts as Trimerization Catalysts for Spray Foam Applications AIR PRODUCTS AND CHEMICALS, INC. (US) 2008-12-18 US disclosed
EP-2003157-A2 Tetraalkylammonium carboxylate salts as trimerization catalysts for spray foam applications Air Products and Chemicals, Inc. (US) 2008-12-17 EP disclosed
US-20070135565-A1 COMPOSITION FOR FORMING POROUS FILM, POROUS FILM AND METHOD FOR FORMING THE SAME, INTERLEVEL INSULATOR FILM, AND SEMICONDUCTOR DEVICE MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2007-06-14 US disclosed
US-7132473-B2 Composition for forming porous film, porous film and method for forming the same, interlevel insulator film, and semiconductor device MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2006-11-07 US disclosed
EP-1568744-A1 COMPOSITION FOR POROUS FILM FORMATION, POROUS FILM, PROCESS FOR PRODUCING THE SAME, INTERLAYER INSULATION FILM AND SEMICONDUCTOR DEVICE MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2005-08-31 EP disclosed
US-20040219372-A1 Composition for forming porous film, porous film and method for forming the same, interlevel insulator film, and semiconductor device MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. 2004-11-04 US disclosed