SCHEMBL8850411

SCHEMBL8850411

C=CC(=O)OCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCO

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.69
ALDH1A1 P00352 4/20 0.69
CYP3A4 P08684 2/20 0.69
TP53 P04637 3/20 0.63
HIF1A Q16665 3/20 0.63
HSD17B10 Q99714 1/20 0.63
HPGD P15428 1/20 0.57
THRB P10828 2/20 0.43
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
APP P05067 2/20 0.39
ATM Q13315 1/20 0.36
ACHE P22303 6/20 0.36

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
SCHEMBL8851442 1.00 TSHR (0.69) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL8850611 1.00 TSHR (0.69) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL5933811 1.00 TSHR (0.69) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL11516246 1.00 TSHR (0.69) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL5933756 1.00 TSHR (0.69) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL12761981 0.98 TSHR (0.67) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL15373475 0.96 TSHR (0.69) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL12761980 0.94 TSHR (0.73) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL31481208 0.94 TSHR (0.78) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL25556 0.94 TSHR (0.78) TSHRALDH1A1CYP3A4TP53HIF1A

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