SCHEMBL19971928

SCHEMBL19971928

CC=C(C)C(=O)OCCCCCCCCCCCCCCCCCCCCCO

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
ACHE P22303 6/20 0.43
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.38
APP P05067 2/20 0.36
NAAA Q02083 1/20 0.35
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
GAA P10253 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FAAH O00519 1/20 0.33

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
SCHEMBL19971932 1.00 TSHR (0.44) TSHRACHEALDH1A1CYP3A4APP
SCHEMBL5605450 1.00 TSHR (0.44) TSHRACHEALDH1A1CYP3A4APP
SCHEMBL19971926 1.00 TSHR (0.44) TSHRACHEALDH1A1CYP3A4APP
SCHEMBL19971925 1.00 TSHR (0.44) TSHRACHEALDH1A1CYP3A4APP
SCHEMBL7107047 1.00 TSHR (0.44) TSHRACHEALDH1A1CYP3A4APP
SCHEMBL24217 1.00 TSHR (0.44) TSHRACHEALDH1A1CYP3A4APP
SCHEMBL37008 1.00 TSHR (0.44) TSHRACHEALDH1A1CYP3A4APP
SCHEMBL19971927 1.00 TSHR (0.44) TSHRACHEALDH1A1CYP3A4APP
SCHEMBL6983096 1.00 TSHR (0.44) TSHRACHEALDH1A1CYP3A4APP
SCHEMBL3238814 1.00 TSHR (0.44) TSHRACHEALDH1A1CYP3A4APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10126668-B2 Toner for electrostatic charge image development Konica Minolta, Inc. (JP) 2018-11-13 US disclosed
US-20180081288-A1 TONER FOR ELECTROSTATIC CHARGE IMAGE DEVELOPMENT Konica Minolta, Inc. (JP) 2018-03-22 US disclosed