SCHEMBL7755386

SCHEMBL7755386

C=C(C)C(=O)OCOC(=O)CCCC(=O)OCOC(=O)C(=C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.47
THRB P10828 1/20 0.44
ALDH1A1 P00352 3/20 0.41
DGKA P23743 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PAM P19021 2/20 0.34
MAPT P10636 1/20 0.32
DNM1 Q05193 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL93563 0.91 TSHR (0.50) TSHRTHRBALDH1A1DGKACYP1A2
SCHEMBL11986041 0.90 TSHR (0.56) TSHRTHRBALDH1A1DGKACYP1A2
SCHEMBL148579 0.86 TSHR (0.58) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL7759128 0.85 THRB (0.57) TSHRTHRBALDH1A1DGKACYP1A2
SCHEMBL2625634 0.85 TSHR (0.50) TSHRTHRBALDH1A1DGKACYP1A2
SCHEMBL7759129 0.84 ALDH1A1 (0.52) TSHRTHRBALDH1A1POLBAPEX1
Hydrochloric Acid SCHEMBL14976774 0.84 TSHR (0.56) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL7759206 0.83 TSHR (0.58) TSHRTHRBALDH1A1DGKACYP1A2
SCHEMBL9558412 0.83 TSHR (0.44) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL1696757 0.81 THRB (0.57) TSHRTHRBALDH1A1DGKACYP1A2

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