SCHEMBL942089

SCHEMBL942089

C=C(C)C(=O)OCC(OC(=O)C(=C)C)(OC(=O)C(=C)C)OC(=O)C(=C)C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
THRB P10828 1/20 0.44
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL17309679 0.87 TSHR (0.40) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL222088 0.84 TSHR (0.38) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL29022550 0.83 TSHR (0.44) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL9558554 0.83 TSHR (0.47) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL10937523 0.81 TSHR (0.45) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL29780391 0.81 TSHR (0.45) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL57880 0.79 TSHR (0.52) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL9241281 0.79 TSHR (0.44) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL20135807 0.79 THRB (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL8850932 0.78 TSHR (0.57) TSHRTHRBALDH1A1POLBAPEX1

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-7867682-B2 Toner for developing electrostatic image, and developer, toner container, image forming apparatus and process cartridge using the toner RICOH COMPANY LIMITED (JP) 2011-01-11 US disclosed
US-20070218393-A1 TONER FOR DEVELOPING ELECTROSTATIC IMAGE, AND DEVELOPER, TONER CONTAINER, IMAGE FORMING APPARATUS AND PROCESS CARTRIDGE USING THE TONER RICOH COMPANY, LIMITED (JP) 2007-09-20 US disclosed