SCHEMBL27664366

SCHEMBL27664366

CC(C)C(=O)OC(C)(C)C.CCOOCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
MMP8 P22894 1/20 0.34
NOS1 P29475 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
CTSK P43235 2/20 0.32
KMT2A Q03164 1/20 0.32
CYP2D6 P10635 1/20 0.32
DGAT1 O75907 1/20 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
SCHEMBL108717 0.86 DGAT1 (0.39) CA1CA2CA7NOS1NOS3
Hydrogen Peroxide SCHEMBL28045178 0.84 CA12 (0.37) CA1CA2CA7NOS1NOS3
Water SCHEMBL27826633 0.84 CA12 (0.37) CA1CA2CA7NOS1NOS3
SCHEMBL8651672 0.84 CA12 (0.37) CA1CA2CA7NOS1NOS3
Hydrogen Peroxide SCHEMBL22069989 0.84 CA12 (0.37) CA1CA2CA7NOS1NOS3
Ammonia Solution, Strong SCHEMBL2687922 0.84 CA12 (0.37) CA1CA2CA7NOS1NOS3
Hydrochloric Acid SCHEMBL4310897 0.84 CA12 (0.37) CA1CA2CA7NOS1NOS3
Methylene Chloride SCHEMBL28765862 0.82 CA1 (0.37) CA1CA2CA7NOS1CYP1A2
Methane SCHEMBL28765863 0.81 CA12 (0.36) CA1CA2CA7NOS1NOS3
Nitrogen SCHEMBL28125054 0.81 CA12 (0.36) CA1CA2CA7NOS1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103261244-B Method by making ethene, difunctionality or multifunctional comonomer and other optional comonomer prepare ethylene copolymer under radical polymerization initiator exists BASELL POLYOLEFINE GMBH (DE) 2016-01-06 CN disclosed
CN-104159935-A Method and device for producing polyethylene-diene copolymers BOREALIS AG 2014-11-19 CN disclosed
CN-103261241-A Process for monitoring the polymerization of ethylene or ethylene and comonomers in tubular-eactor at high-pressures BASELL POLYOLEFINE GMBH 2013-08-21 CN disclosed
CN-103261244-A Process for the preparation of ethylene copolymers in the presence of free-adical polymerization initiator by copolymerizing ethylene, a bi-or multifunctional comonomer and optionally further comonomers BASELL POLYOLEFINE GMBH 2013-08-21 CN disclosed
CN-100516095-C Fuel oil compositions with improved cold flow properties BASF AG (DE) 2009-07-22 CN disclosed
CN-1890274-A Fuel oil compositions with improved cold flow properties BASF AG (DE) 2007-01-03 CN disclosed