SCHEMBL7760429

SCHEMBL7760429

C=CC(=O)OCC(CCC(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
FOLH1 Q04609 12/20 0.47
GRM3 Q14832 2/20 0.42
NAALAD2 Q9Y3Q0 1/20 0.42
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
BLM P54132 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL22083641 0.85 TSHR (0.59) TSHRSLC6A3CYP2C19
SCHEMBL7942704 0.84 TSHR (0.50) TSHRSLC6A3
SCHEMBL7761817 0.81 TSHR (0.52) TSHRFOLH1
SCHEMBL15315064 0.81 TSHR (0.52) TSHRFOLH1GRM3SLC6A2SLC6A4
SCHEMBL11207048 0.81 TSHR (0.47) TSHRFOLH1SLC6A3
SCHEMBL8995166 0.80 TSHR (0.55) TSHRFOLH1GRM3SLC6A2SLC6A4
SCHEMBL28109308 0.80 TSHR (0.50) TSHRGRM3SLC6A2SLC6A4BLM
SCHEMBL6441778 0.79 TSHR (0.64) TSHRSLC6A3
SCHEMBL7573701 0.78 TSHR (0.61) TSHR
SCHEMBL3691878 0.78 TSHR (0.52) TSHRCYP2C19

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