SCHEMBL1925251

SCHEMBL1925251

CCCC(=O)OC.CCCC(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.56
MGAM O43451 1/20 0.56
SI P14410 1/20 0.56
MGAM2 Q2M2H8 1/20 0.56
TSHR P16473 3/20 0.55
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 1/20 0.50
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TRPA1 O75762 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
KDM5A P29375 1/20 0.42
POLB P06746 1/20 0.42
CA12 O43570 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7636079 0.92 TSHR (0.54) GAAMGAMSIMGAM2TSHR
SCHEMBL27430679 0.92 TSHR (0.54) GAAMGAMSIMGAM2TSHR
Ethyl Propionate SCHEMBL1865844 0.91 ALDH1A1 (0.52) GAAMGAMSIMGAM2TSHR
SCHEMBL1981808 0.90 TSHR (0.68) GAAMGAMSIMGAM2TSHR
SCHEMBL1866106 0.90 ALDH1A1 (0.60) GAAMGAMSIMGAM2TSHR
SCHEMBL6115 0.90
SCHEMBL17449766 0.90
SCHEMBL10901590 0.90 ALDH1A1 (0.60) GAAMGAMSIMGAM2TSHR
SCHEMBL23930216 0.87
Calcium SCHEMBL9066170 0.87

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
CN-116454392-A Lithium ion secondary battery electrolyte and lithium ion secondary battery 广州天赐高新材料股份有限公司 2023-07-18 CN claimed
CN-116454392-B Lithium ion secondary battery electrolyte and lithium ion secondary battery 广州天赐高新材料股份有限公司 2023-09-15 CN disclosed
CN-116454392-A Lithium ion secondary battery electrolyte and lithium ion secondary battery 广州天赐高新材料股份有限公司 2023-07-18 CN disclosed
WO-2014111953-A1 PROCESS FOR PREPARATION OF ANACETRAPIB AND INTERMEDIATES THEREOF GLENMARK PHARMACEUTICALS LIMITED; GLENMARK GENERICS LIMITED (IN) 2014-07-24 WO disclosed
EP-2329711-A1 Novel seed treatment method by using supercritical carbon dioxide BASF SE (DE) 2011-06-08 EP disclosed
EP-1436371-A2 ENZYMATIC SYSTEMS FOR GENERATING ACTIVE OXYGEN SPECIES FOR REACTING WITH OTHER PRECURSORS TO OBTAIN OXIDATION AND/OR BLEACHING Call, Krimhild (DE) 2004-07-14 EP disclosed
WO-2002099023-A2 ENZYMATIC SYSTEMS FOR GENERATING ACTIVE OXYGEN SPECIES FOR REACTING WITH OTHER PRECURSORS TO OBTAIN OXIDATION AND/OR BLEACHING CALL, KRIMHILD (DE) 2002-12-12 WO disclosed