SCHEMBL7761807

SCHEMBL7761807

C=CC(=O)OC(C)COC(=O)CC(=O)OCC(C)OC(=O)C=C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.55
HPGD P15428 1/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
ALDH1A1 P00352 4/20 0.35
TP53 P04637 3/20 0.35
HIF1A Q16665 3/20 0.35
CYP3A4 P08684 2/20 0.35
HSD17B10 Q99714 1/20 0.35
PRKCA P17252 4/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 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
SCHEMBL7761810 0.91 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL5474408 0.91 TSHR (0.50) TSHRHPGDMGAMGAASI
SCHEMBL1151186 0.89 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL4059305 0.87 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL29274511 0.87 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL30589890 0.86 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL268430 0.86 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL17696340 0.86 TSHR (0.49) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL23647296 0.86 TSHR (0.52) TSHRALDH1A1CYP3A4PRKCAMAPT
SCHEMBL7761789 0.86 TSHR (0.52) TSHRHPGDALDH1A1CYP3A4PRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0756208-B1 Resin composition for electrophotographic toner, and toner comprising it MITSUI CHEMICALS INC (JP) 2001-04-11 EP disclosed
US-6011119-A RESIN COMPOSITION SHOWS EXCELLENT CHARGING CHARACTERISTICS WITHOUT A CHARGE CONTROL AGENT; HIGH AND LOW MOLECULAR WEIGHT ADDITION POLYMERS AT LEAST ONE OF WHICH IS FROM AN UNSATURATED ANHYDRIDE AND AN ACRYLOYLOXYALKYL DICARBOXYLIC ACID ESTER MITSUI CHEMICALS, INC. (JP) 2000-01-04 US disclosed
EP-0756208-A1 Resin composition for electrophotographic toner, and toner comprising it MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-01-29 EP disclosed