SCHEMBL8851573

SCHEMBL8851573

C=CC(=O)OCCCCCCCCCCCCCCCCCCCCCCCOCC

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.73
ALDH1A1 P00352 4/20 0.73
CYP3A4 P08684 1/20 0.73
HPGD P15428 1/20 0.66
TP53 P04637 2/20 0.55
HIF1A Q16665 2/20 0.55
HSD17B10 Q99714 1/20 0.55
THRB P10828 3/20 0.50
HCAR2 Q8TDS4 3/20 0.44
ATM Q13315 1/20 0.44
NAAA Q02083 1/20 0.38

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
SCHEMBL8850606 1.00 TSHR (0.73) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL12085162 1.00 TSHR (0.73) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL1070841 1.00 TSHR (0.73) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8851357 1.00 TSHR (0.73) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16949660 1.00 TSHR (0.73) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8850628 1.00 TSHR (0.73) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL437090 0.98 TSHR (0.69) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL20312877 0.96 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8850656 0.96 TSHR (0.67) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8850905 0.96 TSHR (0.67) TSHRALDH1A1CYP3A4HPGDTP53

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