SCHEMBL8850581

SCHEMBL8850581

C=C(C)C(=O)OCC(CCC)(COC(=O)C(=C)C)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.37
EPHX1 P07099 1/20 0.31
LMNA P02545 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL8850645 0.98 TSHR (0.38) TSHRALDH1A1THRBEPHX1
SCHEMBL8850545 0.88 ALDH1A1 (0.40) TSHRALDH1A1THRBEPHX1
SCHEMBL8850558 0.86 ALDH1A1 (0.39) TSHRALDH1A1THRBEPHX1
SCHEMBL8850642 0.79 ALDH1A1 (0.43) TSHRALDH1A1THRBEPHX1
SCHEMBL8633458 0.79 ALDH1A1 (0.43) TSHRALDH1A1THRBEPHX1
SCHEMBL8850850 0.78 ALDH1A1 (0.42) TSHRALDH1A1THRBEPHX1
SCHEMBL8852741 0.78 ALDH1A1 (0.42) TSHRALDH1A1THRBEPHX1
SCHEMBL8850585 0.77
SCHEMBL8851393 0.76 ALDH1A1 (0.41) TSHRALDH1A1THRBEPHX1LMNA
SCHEMBL8850655 0.76

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