SCHEMBL8434847

SCHEMBL8434847

C=C(C)C(=O)OCCOCCOC(=O)C(=C)C.CC(CCCCOC(N)=O)C(C)(C)OC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
TSHR P16473 3/20 0.40
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 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
SCHEMBL8437710 1.00 THRB (0.41) THRBTSHRPOLBAPEX1HTT
SCHEMBL8435862 0.87 TSHR (0.38) THRBTSHRPOLBAPEX1HTT
SCHEMBL29738222 0.84 CHRNB2 (0.42) TSHRTDP1CHRNB2CHRNB4CHRNA3
Urethane SCHEMBL9356096 0.84 TSHR (0.44) THRBTSHRPOLBAPEX1HTT
SCHEMBL3272797 0.83 TSHR (0.50) THRBTSHRPOLBAPEX1HTT
SCHEMBL30827212 0.82 TSHR (0.41) THRBTSHRPOLBAPEX1HTT
SCHEMBL7061571 0.74 TSHR (0.69) THRBTSHRPOLBAPEX1HTT
SCHEMBL9568827 0.74 THRB (0.70) THRBTSHRPOLBAPEX1HTT
SCHEMBL8754872 0.72 TSHR (0.46) THRBTSHRPOLBAPEX1HTT
SCHEMBL14706828 0.72 THRB (0.68) THRBTSHRPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6001896-A (A) TETRAHYDROFURFURYL METHACRYLATE; (B) ONE OR MORE MULTI-FUNCTIONAL METHACRYLATES, CONTAINING AT LEAST TWO METHACRYLOYL GROUPS; AND (C) A PHOTOPOLYMERIZATION INITIATOR IN SPECIFIC PARTS BY WEIGHT; ADHESIVE STRENGTH, AESTHETICS GC CORPORATION (JP) 1999-12-14 US disclosed