Pivalate

Pivalate

SCHEMBL4916740

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

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.38
BBOX1 O75936 1/20 0.38
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
FFAR3 O14843 1/20 0.33
CHRM1 P11229 3/20 0.33
CHRM4 P08173 2/20 0.33
CHRM3 P20309 2/20 0.33
CHRM2 P08172 1/20 0.33
HMGCR P04035 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
LMNA P02545 1/20 0.32
APEX1 P27695 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
SCN1A P35498 2/20 0.31
SCN2A Q99250 2/20 0.31
SCN3A Q9NY46 2/20 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
SCHEMBL7132903 0.86 TSHR (0.58) TSHRALDH1A1BBOX1CYP2D6CYP2C19
Pivalate SCHEMBL4918279 0.86 TSHR (0.41) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Bicarbonate SCHEMBL557718 0.82 BBOX1 (0.44) TSHRALDH1A1BBOX1CYP2C19FFAR3
Pivalate SCHEMBL4916733 0.81 BBOX1 (0.46) BBOX1FFAR3
Tetrylammonium SCHEMBL2351321 0.80 TSHR (0.47) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Oxalic Acid SCHEMBL1052164 0.79 BBOX1 (0.42) TSHRALDH1A1BBOX1CYP2C19FFAR3
Pivalate SCHEMBL4928477 0.79 TSHR (0.35) TSHRALDH1A1BBOX1CYP2D6CYP2C19
Pivalate SCHEMBL27851090 0.78 ALDH1A1 (0.50) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Pivalate SCHEMBL2346513 0.78 TSHR (0.50) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Pivalate SCHEMBL27546876 0.78

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