SCHEMBL1921707

SCHEMBL1921707

C=C(C)C(=O)OCC(C)(C)COC(=O)C(=C)C.CCC(CO)(CO)CO

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.41
TSHR P16473 3/20 0.40
ALDH1A1 P00352 3/20 0.35
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
SERPINE1 P05121 1/20 0.30

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
Methacrylic Acid SCHEMBL17495198 0.91 THRB (0.37) THRBTSHRALDH1A1TP53CYP3A4
SCHEMBL9901108 0.90 THRB (0.39) THRBTSHRALDH1A1TP53CYP3A4
SCHEMBL10802310 0.90 THRB (0.41) THRBTSHRALDH1A1TP53CYP3A4
SCHEMBL7155076 0.89 THRB (0.43) THRBTSHRALDH1A1SERPINE1
SCHEMBL5446418 0.89 THRB (0.43) THRBTSHRALDH1A1TP53CYP3A4
SCHEMBL3756979 0.89 THRB (0.43) THRBTSHRALDH1A1TP53CYP3A4
SCHEMBL5959040 0.88 THRB (0.40) THRBTSHRALDH1A1TP53CYP3A4
SCHEMBL443709 0.87 THRB (0.44) THRBTSHRALDH1A1TP53CYP3A4
SCHEMBL2764467 0.87 THRB (0.44) THRBTSHRALDH1A1TP53CYP3A4
SCHEMBL30451 0.87 THRB (0.44) THRBTSHRALDH1A1TP53CYP3A4

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
CN-109836545-A A kind of preparation method and applications of surface modified organic silicon micron ball 涌奇材料技术(上海)有限公司 2019-06-04 CN disclosed
US-20140050768-A1 Copper-Containing Metal Pigments with a Metal Oxide Layer and a Plastic Layer, Method for the Production Thereof, Coating Agent and Coated Object ECKART GMBH (DE) 2014-02-20 US disclosed
EP-2328035-A1 Resin particles Sanyo Chemical Industries, Ltd. (JP) 2011-06-01 EP disclosed