SCHEMBL8851557

SCHEMBL8851557

C=C(C)C(=O)OCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOC

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.61
THRB P10828 1/20 0.53
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 6/20 0.42
CES2 O00748 1/20 0.33
CYP3A4 P08684 1/20 0.32
NAAA Q02083 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
EPHX2 P34913 2/20 0.30
RAD52 P43351 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL8850412 1.00 TSHR (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL8850574 1.00 TSHR (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL12332609 1.00 TSHR (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL13105981 0.96 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL13432046 0.96 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL13105982 0.96 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL24591471 0.94 THRB (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2696366 0.94 THRB (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2121560 0.94 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL197726 0.94 TSHR (0.68) TSHRTHRBPOLBAPEX1HTT

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