Pivalate

Pivalate

SCHEMBL6900876

CC(C)(C)C(=O)O.OCCO

nearest known ligand 0.47

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
HMGCR P04035 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
ADRA1A P35348 1/20 0.38
KMT2A Q03164 1/20 0.37
TET2 Q6N021 1/20 0.35
PPARA Q07869 3/20 0.34
FFAR3 O14843 1/20 0.33
GGT1 P19440 1/20 0.33
TP53 P04637 1/20 0.33
CAMK2A Q9UQM7 1/20 0.33
PPARG P37231 1/20 0.32
ACLY P53396 1/20 0.32
NAALAD2 Q9Y3Q0 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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 SCHEMBL29138458 1.00 TSHR (0.47) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Pivalate SCHEMBL6880893 0.94 FFAR3 (0.44) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Pivalate SCHEMBL6905029 0.87 GPR84 (0.46) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Pivalate SCHEMBL27298103 0.86 TSHR (0.40) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Pivalate SCHEMBL8997006 0.86 ALDH1A1 (0.47) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Pivalate SCHEMBL4318862 0.84
Pivalate SCHEMBL3613 0.84
Pivalate SCHEMBL332912 0.84 TSHR (0.61) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Pivalate SCHEMBL5116637 0.84 TSHR (0.61) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Pivalate SCHEMBL29150541 0.84 FFAR1 (0.50) TSHRALDH1A1CYP2D6CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6777508-B1 HIGHLY ACTIVE AND HIGHLY STEREOSPECIFIC CATALYSTS FOR THE POLYMERIZATION OF PROPYLENE AND HIGHER OLEFINS BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2004-08-17 US disclosed
EP-0179303-B2 CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Himont Incorporated (US) 1992-06-17 EP disclosed
EP-0179303-B1 CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Himont Incorporated (US) 1989-05-24 EP disclosed
EP-0086472-B1 CATALYST FOR THE POLYMERIZATION OF OLEFINS Montedison S.p.A. (IT) 1987-05-20 EP disclosed
EP-0179303-A1 Catalysts for the polymerization of olefins Himont Incorporated (US) 1986-04-30 EP disclosed
US-4473660-A COORDINATION CATALYST-CONTAINING ALKYL-ALUMINUM COMPOUND, ELECTRON DONOR, TITANIUM COMPOUND AND ESTER ON MAGNESIUM HALIDE SUPPORT MONTEDISON S.P.A. (IT) 1984-09-25 US disclosed
EP-0086472-A2 Catalyst for the polymerization of olefins Montedison S.p.A. (IT) 1983-08-24 EP disclosed