SCHEMBL27617064

SCHEMBL27617064

C=CC(=O)OC(O)C(O)C(C)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.43
HPGD P15428 1/20 0.38
ALDH1A1 P00352 4/20 0.32
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL1373352 0.88 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8965588 0.85 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8965566 0.84 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1092841 0.84 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL30938817 0.83 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28005115 0.82 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8965801 0.82 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9719541 0.81 TSHR (0.39) TSHRHPGD
SCHEMBL11308785 0.80 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27639190 0.79 TSHR (0.38) TSHRHPGDALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104817801-A INORGANIC-ORGANIC HYBRID MATERIAL, OPTICAL MATERIAL USING SAME, AND INORGANIC-ORGANIC COMPOSITE COMPOSITION NIPPON KASEI CHEM 2015-08-05 CN disclosed
CN-102985483-B Inorganic-organic hybrid material, optical material using same, and inorganic-organic composite composition NIPPON KASEI CHEM 2015-06-10 CN disclosed
CN-102985483-A Inorganic-organic hybrid material, optical material using same, and inorganic-organic composite composition NIPPON KASEI CHEM 2013-03-20 CN disclosed
CN-100358713-C object with composite hard coat layer and method for forming composite hard coat layer TDK CORP (JP) 2008-01-02 CN disclosed
CN-1610612-A Article having composite hard coat layer and method for forming composite hard coat layer TDK CORP (JP) 2005-04-27 CN disclosed