Pivalate

Pivalate

SCHEMBL6073030

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

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 2/20 0.43
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC22A2 O15244 1/20 0.40
CA2 P00918 1/20 0.40
DNM1 Q05193 4/20 0.39
CA1 P00915 2/20 0.38

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 SCHEMBL4203123 0.93 SLC22A1 (0.38) SLC22A1SLC22A2CA2CA1
Dimebutic Acid SCHEMBL6072524 0.89 SLC22A1 (0.39) SLC22A1ALDH1A1TP53CYP3A4ALOX15
Pivalate SCHEMBL8873091 0.88 SLC22A1 (0.56) SLC22A1ALDH1A1TP53CYP3A4ALOX15
Dimebutic Acid SCHEMBL6072988 0.87 SLC22A1 (0.38) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL6072470 0.86 SLC22A1 (0.36) SLC22A1ALDH1A1TP53CYP3A4ALOX15
Dimebutic Acid SCHEMBL5068176 0.82 SLC22A1 (0.34) SLC22A1SLC22A2CA2CA1
SCHEMBL6072708 0.82 SLC22A1 (0.34) SLC22A1TP53CYP3A4TSHRHIF1A
Tetrabuthylammonium SCHEMBL2350563 0.82 SLC22A1 (0.55) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL6072539 0.81 MEN1 (0.36) SLC22A1ALDH1A1CA2CA1
Pivalate SCHEMBL2352868 0.80 BBOX1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1516722-B1 ACRYLIC RESIN COMPOSITION, ORGANOSILOXANE RESIN COMPOSITION AND LAMINATES MADE BY USING THEM TEIJIN CHEMICALS LTD (JP) 2015-09-02 EP disclosed
US-7070859-B2 Acrylic resin composition organosiloxane resin composition and laminate comprising the same TEIJIN CHEMICALS, LTD. (JP) 2006-07-04 US disclosed
EP-1516722-A1 ACRYLIC RESIN COMPOSITION, ORGANOSILOXANE RESIN COMPOSITION AND LAMINATES MADE BY USING THEM Teijin Chemicals, Ltd. (JP) 2005-03-23 EP disclosed
US-20040247878-A1 Acrylic resin composition organosiloxane resin composition and laminate comprising the same TEIJIN CHEMICALS LTD. (JP) 2004-12-09 US disclosed