SCHEMBL2990604

SCHEMBL2990604

CCOP(=O)(CCCC(C)=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.54
TSHR P16473 2/20 0.44
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ACHE P22303 1/20 0.35
PAOX Q6QHF9 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL29169497 0.94 PPARD (0.52) PPARDTSHRCA12CA1CA2
SCHEMBL2991834 0.87 PPARD (0.58) PPARDTSHRCA12CA1CA2
SCHEMBL2992408 0.84 PPARD (0.36) PPARDALDH1A1ACHEPAOX
SCHEMBL24475840 0.83 PPARD (0.54) PPARDTSHRCA12CA1CA2
SCHEMBL2383184 0.83 PPARD (0.54) PPARDTSHRALDH1A1
SCHEMBL6839745 0.82 PPARD (0.52) PPARDTSHRCA12CA1CA2
SCHEMBL2463019 0.82 PPARD (0.52) PPARDTSHRCA12CA1CA2
SCHEMBL11203182 0.80 TSHR (0.52) PPARDTSHRCA12CA1CA2
SCHEMBL2235112 0.80 CYP1A2 (0.52) PPARDTSHRALDH1A1
SCHEMBL5017294 0.79 PPARD (0.64) PPARDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962192-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2015-02-24 US disclosed
US-8574757-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2013-11-05 US disclosed
US-20120264011-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-10-18 US disclosed
US-20100035147-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2010-02-11 US disclosed
US-4279898-A In vivo inhibitors of cholesterol biosynthesis RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 1981-07-21 US disclosed