SCHEMBL6290863

SCHEMBL6290863

C=C(C)C(=O)OCCOC(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)OCCOC(=O)C(=C)C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
HTT P42858 2/20 0.44
APEX1 P27695 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
THRB P10828 1/20 0.41
ELANE P08246 2/20 0.39
KDM4E B2RXH2 4/20 0.37
TSHR P16473 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 1/20 0.36
AR P10275 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL6295073 0.96 THRB (0.45) POLBHTTAPEX1TDP1THRB
SCHEMBL16806094 0.90 POLB (0.45) POLBHTTAPEX1TDP1THRB
SCHEMBL65218 0.86 POLB (0.51) POLBHTTAPEX1TDP1THRB
SCHEMBL59813 0.85 POLB (0.56) POLBHTTAPEX1TDP1THRB
SCHEMBL14173142 0.85 POLB (0.56) POLBHTTAPEX1TDP1THRB
SCHEMBL10885204 0.85 POLB (0.48) POLBHTTAPEX1TDP1THRB
SCHEMBL6668640 0.84 POLB (0.56) POLBHTTAPEX1TDP1THRB
SCHEMBL6563766 0.84 HTT (0.43) POLBHTTAPEX1TDP1THRB
SCHEMBL6469976 0.84 ELANE (0.42) POLBHTTAPEX1TDP1THRB
SCHEMBL29315871 0.84 CA1 (0.49) POLBHTTAPEX1TDP1THRB

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 7 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
EP-0097864-B1 PHOTOPOLYMERIZABLE MIXTURE AND PHOTOPOLYMERIZABLE COPYING MATERIAL PRODUCED THEREWITH HOECHST AKTIENGESELLSCHAFT (DE) 1986-11-12 EP disclosed
US-4530747-A Terminal (meth)acrylic ester groups HOECHST AKTIENGESELLSCHAFT (DE) 1985-07-23 US disclosed