SCHEMBL17705188

SCHEMBL17705188

C=C(C)C(=O)OCOP(C)(=O)OCOC(=O)C(=C)C

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
ALDH1A1 P00352 2/20 0.44
THRB P10828 1/20 0.42
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL19680510 0.89 TSHR (0.46) TSHRALDH1A1THRB
SCHEMBL13108239 0.86 TSHR (0.44) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL21051155 0.85 TSHR (0.47) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL11810640 0.83 TSHR (0.45) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL2020675 0.83 TSHR (0.45) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL3682160 0.80 TSHR (0.42) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL148579 0.79 TSHR (0.58) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL3686253 0.79 TSHR (0.48) TSHRALDH1A1THRBTDP1
SCHEMBL11474626 0.79 TSHR (0.41) TSHRALDH1A1THRB
SCHEMBL13301617 0.78 ALDH1A1 (0.42) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349777-A1 ION COMPLEX MATERIAL HAVING FUNCTION OF INHIBITING ADHESION OF BIOLOGICAL SUBSTANCE AND METHOD FOR MANUFACTURING THE SAME NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-12-07 US disclosed
US-20160129176-A1 BLOOD FILTER AND METHOD FOR MANUFACTURING THE SAME NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-12 US disclosed
US-20160122576-A1 ION COMPLEX MATERIAL HAVING FUNCTION OF INHIBITING ADHESION OF BIOLOGICAL SUBSTANCE AND METHOD FOR MANUFACTURING THE SAME NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-05 US disclosed
US-20160115435-A1 CELL CULTURE VESSEL NISSAN CHEMICAL CORPORATION (JP) 2016-04-28 US disclosed