SCHEMBL3335138

SCHEMBL3335138

C=C(OC(C)C)C(=O)OC(C)C.[AlH3]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ADRA1A P35348 1/20 0.39
PDE4D Q08499 1/20 0.39
HCAR2 Q8TDS4 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
CA12 O43570 4/20 0.31
CA1 P00915 4/20 0.31
CA2 P00918 4/20 0.31
CA9 Q16790 4/20 0.31
CA7 P43166 3/20 0.31
CA14 Q9ULX7 3/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 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
SCHEMBL12193830 0.82 ALDH1A1 (0.46) TSHRADRA1APDE4DHCAR2SMN1; SMN2
SCHEMBL31510876 0.82 TSHR (0.42) TSHRADRA1APDE4DHCAR2SMN1; SMN2
SCHEMBL6248642 0.78 TSHR (0.50) TSHRADRA1APDE4DHCAR2SMN1; SMN2
SCHEMBL2709332 0.78 TSHR (0.48) TSHRADRA1APDE4DHCAR2SMN1; SMN2
SCHEMBL28797473 0.77 ADRA1A (0.35) TSHRADRA1APDE4DHCAR2
SCHEMBL297916 0.76 TSHR (0.59) TSHRADRA1APDE4DHCAR2SMN1; SMN2
SCHEMBL9372154 0.76
SCHEMBL15253 0.76
SCHEMBL21772350 0.76 TSHR (0.52) TSHRADRA1APDE4DHCAR2SMN1; SMN2
SCHEMBL1003135 0.76

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-8563675-B2 Curable compositions composed of silanes with two hydrolyzable groups HENKEL AG & CO. KGAA (DE) 2013-10-22 US disclosed
CN-101778885-B Curable compositions composed of silanes with two hydrolyzable groups HENKEL AG & CO KGAA 2013-07-10 CN disclosed
CN-1950459-B Curable composition improved in solidification and adhesiveness KANEGAFUCHI CHEMICAL IND 2011-05-25 CN disclosed
US-20100204387-A1 CURABLE COMPOSITIONS COMPOSED OF SILANES WITH TWO HYDROLYZABLE GROUPS HENKEL AG & CO. KGAA (DE) 2010-08-12 US disclosed
CN-101778885-A Curable compositions composed of silanes with two hydrolyzable groups HENKEL AG & CO KGAA 2010-07-14 CN disclosed
US-20100143712-A1 SILANE-CROSSLINKING ADHESIVE OR SEALANT COMPRISING N-SILYLALKYLAMIDES AND USE THEREOF HENKEL AG & CO. KGAA (DE) 2010-06-10 US disclosed
CN-1950459-A Curable composition improved in solidification and adhesiveness KANEGAFUCHI CHEMICAL IND (JP) 2007-04-18 CN disclosed