SCHEMBL6662709

SCHEMBL6662709

C=C(C)C(=O)OCC.C=C(C)C(=O)OCC1CO1

nearest known ligand 0.86

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.86
CYP3A4 P08684 2/20 0.46
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.44
TSHR P16473 5/20 0.40
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
GLO1 Q04760 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
Ethylene SCHEMBL20476767 0.98 ALDH1A1 (0.83) ALDH1A1CYP3A4TP53THRBTSHR
Ethyl Acetate SCHEMBL11217041 0.93 ALDH1A1 (0.81) ALDH1A1CYP3A4TP53THRBTSHR
Propane SCHEMBL11143722 0.93 ALDH1A1 (0.93) ALDH1A1CYP3A4TP53THRBTSHR
SCHEMBL5098171 0.93 ALDH1A1 (1.00) ALDH1A1CYP3A4TP53THRBTSHR
SCHEMBL5098181 0.93 ALDH1A1 (1.00) ALDH1A1CYP3A4TP53THRBTSHR
SCHEMBL15617 0.93 ALDH1A1 (1.00) ALDH1A1CYP3A4TP53THRBTSHR
SCHEMBL2048901 0.93 ALDH1A1 (1.00) ALDH1A1CYP3A4TP53THRBTSHR
Ethylene SCHEMBL29388342 0.92 ALDH1A1 (0.73) ALDH1A1CYP3A4TP53THRBTSHR
Ethyl Acetate SCHEMBL28106517 0.92 ALDH1A1 (0.78) ALDH1A1CYP3A4TP53THRBTSHR
Ether SCHEMBL236565 0.92 ALDH1A1 (0.83) ALDH1A1CYP3A4TP53THRBTSHR

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
CN-104297948-A Waveguide thermal optical switch based on long-period metal surface plasma and preparation method of waveguide thermal optical switch UNIV JILIN 2015-01-21 CN disclosed
JP-2004315805-A RESIN COMPOSITION FOR LASER WELDING AND MOLDED PRODUCT WINTECH POLYMER LTD 2004-11-11 JP disclosed
US-6576343-B2 A coating formualtion for application to a primed metal substrate comprising: 50% to 90%, by weight of nonvolatitle acrylate copolymer having pendant glycidyl group, 10 to 50% a nonvolatile acid terminated polyester, and a carrier THE VALSPAR CORPORATION 2003-06-10 US disclosed
US-6235102-B1 POLYMERS FOR COATING METAL SUBSTRATES THE VALSPAR CORPORATION 2001-05-22 US disclosed
US-4426465-A Coating compositions for solar selective absorption comprising a thermosetting acrylic resin and particles of a low molecular weight fluorocarbon polymer MATSUSHITA ELECTRIC INDUSTRIAL COMPANY, LIMITED (JP) 1984-01-17 US disclosed