SCHEMBL5025149

SCHEMBL5025149

C=CC(=O)OCCCOC(=O)C(C)=CCCCO

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.49
ALDH1A1 P00352 4/20 0.49
CYP3A4 P08684 2/20 0.49
HPGD P15428 1/20 0.49
TP53 P04637 3/20 0.41
HIF1A Q16665 3/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 2/20 0.36
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
ATM Q13315 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
SCHEMBL28033746 0.89 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4606584 0.86 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL6368769 0.84 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8382801 0.83 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL29052982 0.83 CYP2D6 (0.35) TSHRALDH1A1CYP2D6CYP2C19
SCHEMBL11766925 0.82 TSHR (0.36) TSHRCYP2D6CYP2C19
SCHEMBL10879518 0.82 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL27940506 0.82 TSHR (0.67) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL27465283 0.81 TSHR (0.52) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9776659 0.81 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53

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-1580614-B1 TONER AND IMAGE FORMING DEVICE USING THE SAME RICOH CO LTD (JP) 2017-03-01 EP disclosed
US-20140051019-A1 TONER, DEVELOPMENT AGENT, IMAGE FORMING APPARATUS, AND PROCESS CARTRIDGE RICOH COMPANY, LTD. (JP) 2014-02-20 US disclosed
EP-1998226-A1 Method of manufacturing toner and toner Ricoh Company, Ltd. (JP) 2008-12-03 EP disclosed