SCHEMBL8851112

SCHEMBL8851112

C=C(C)C(=O)OCCCCCCCCCCCCCCCCCCCCCCCOCC

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.75
TSHR P16473 5/20 0.72
POLB P06746 1/20 0.50
APEX1 P27695 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 5/20 0.45
CES2 O00748 1/20 0.41
NAAA Q02083 1/20 0.38
RAD52 P43351 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP3A4 P08684 1/20 0.36
EPHX1 P07099 1/20 0.36
ACHE P22303 2/20 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
SCHEMBL3788969 1.00 THRB (0.75) THRBTSHRPOLBAPEX1HTT
SCHEMBL8850592 1.00 THRB (0.75) THRBTSHRPOLBAPEX1HTT
SCHEMBL28334336 1.00 THRB (0.75) THRBTSHRPOLBAPEX1HTT
SCHEMBL3794443 1.00 THRB (0.75) THRBTSHRPOLBAPEX1HTT
SCHEMBL16949692 1.00 THRB (0.75) THRBTSHRPOLBAPEX1HTT
SCHEMBL8851536 1.00 THRB (0.75) THRBTSHRPOLBAPEX1HTT
SCHEMBL8850944 1.00 THRB (0.75) THRBTSHRPOLBAPEX1HTT
SCHEMBL28457536 1.00 THRB (0.75) THRBTSHRPOLBAPEX1HTT
SCHEMBL1170964 0.98 THRB (0.78) THRBTSHRPOLBAPEX1HTT
SCHEMBL20312879 0.96 THRB (0.76) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661307-B1 Transparent resin and plastic lens HITACHI CHEMICAL CO LTD (JP) 1997-10-15 EP disclosed
US-5663264-A OF A COPOLYMER CONTAINING AN ALKYLENE OXIDE MONOMER, A POLYFUNCTIONAL (METH)ACRYLATE MONOMER AND A VINYL MONOMER HITACHI CHEMICAL COMPANY, LTD. (JP) 1997-09-02 US disclosed
US-5583191-A FORMED OF TRANSPARENT RESIN OBTAINED BY POLYMERIZING MONOMER HAVING ALKYLENE OXIDE GROUP, POLYFUNCTIONAL (METH)ACRYLATE HAVING DIVALENT BRANCED HYDROCARBON GROUP, OPTIONAL ADDITIONAL VINYL MONOMER; HEAT RESISTANCE HITACHI CHEMICAL COMPANY, LTD. (JP) 1996-12-10 US disclosed
EP-0661307-A2 Transparent resin and plastic lens HITACHI CHEMICAL CO., LTD. (JP) 1995-07-05 EP disclosed