SCHEMBL8850641

SCHEMBL8850641

C=C(C)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(=C)C.OCCCCOCCCCOCCCCOCCCCOCCCCO

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.61
TSHR P16473 6/20 0.55
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
ALDH1A1 P00352 5/20 0.37
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 1/20 0.35
ACHE P22303 4/20 0.34

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
SCHEMBL13397682 1.00 THRB (0.61) THRBTSHRCYP4F2CYP4A11HTT
SCHEMBL27686916 0.98 THRB (0.59) THRBTSHRCYP4F2CYP4A11HTT
SCHEMBL27530190 0.98 THRB (0.59) THRBTSHRCYP4F2CYP4A11HTT
SCHEMBL159921 0.98 THRB (0.59) THRBTSHRCYP4F2CYP4A11HTT
1,4-Butanediol SCHEMBL16265704 0.96 THRB (0.66) THRBTSHRCYP4F2CYP4A11HTT
SCHEMBL6115523 0.94 TSHR (0.61) THRBTSHRCYP4F2CYP4A11HTT
SCHEMBL4933888 0.94 TSHR (0.61) THRBTSHRCYP4F2CYP4A11HTT
SCHEMBL5909577 0.94 TSHR (0.61) THRBTSHRCYP4F2CYP4A11HTT
SCHEMBL8037801 0.94 TSHR (0.61) THRBTSHRCYP4F2CYP4A11HTT
SCHEMBL6114698 0.94 TSHR (0.61) THRBTSHRCYP4F2CYP4A11HTT

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