SCHEMBL6292018

SCHEMBL6292018

C=C(C)C(=O)OCCOc1c(OCC)c(OCC)c(C(C)(C)c2c(OCC)c(OCC)c(OCCOC(=O)C(=C)C)c(OCC)c2OCC)c(OCC)c1OCC

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.51
TSHR P16473 4/20 0.42
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 2/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL65415 0.83 THRB (0.36) THRBTSHRALDH1A1
SCHEMBL6292049 0.82 THRB (0.42) THRBTSHRPOLBAPEX1HTT
SCHEMBL9580207 0.81 THRB (0.46) THRBTSHRPOLBAPEX1HTT
SCHEMBL11997925 0.80 THRB (0.43) THRBTSHRPOLBAPEX1HTT
SCHEMBL391495 0.79 TSHR (0.36) THRBTSHR
SCHEMBL203765 0.77 THRB (0.43) THRBTSHRPOLBAPEX1HTT
SCHEMBL717628 0.77 THRB (0.53) THRBTSHRPOLBAPEX1HTT
SCHEMBL11177282 0.75 HTT (0.33) THRBHTTALDH1A1
SCHEMBL1232397 0.75 THRB (0.42) THRBTSHRPOLBAPEX1HTT
SCHEMBL1232005 0.75 THRB (0.33) THRB

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
US-6852780-B2 Composition for optical material, optical material and lenses NOF CORPORATION (JP) 2005-02-08 US disclosed
US-20030047722-A1 Composition for optical material, optical material and lenses NOF CORPORATION (JP) 2003-03-13 US disclosed
EP-1271186-A1 COMPOSITION FOR OPTICAL MATERIAL, OPTICAL MATERIAL AND LENSES NOF CORPORATION (JP) 2003-01-02 EP disclosed
US-6417273-B1 CURABLE MIXTURE OF DI(METH)ACRYLATE, DIVINYLBENZENE OR -BIPHENYL, CROSSLINKING ISOCYANATE, DITHIOL, AND ACCELERATOR; IMPACT STRENGTH, HEAT RESISTANCE; POLYTHIOURETHANES, ADDITION-CONDENSATION COPOLYMERS NOF CORPORATION (JP) 2002-07-09 US disclosed
EP-1116735-A1 MONOMER COMPOSITION FOR OPTICAL PLASTIC MATERIAL, OPTICAL PLASTIC MATERIAL, AND LENS NOF CORPORATION (JP) 2001-07-18 EP disclosed