SCHEMBL8850558

SCHEMBL8850558

C=C(C)C(=O)OCC(CC)(COC(=O)C(=C)C)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
THRB P10828 1/20 0.38
TSHR P16473 3/20 0.37
EPHX1 P07099 1/20 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
SCHEMBL8850545 0.98 ALDH1A1 (0.40) ALDH1A1THRBTSHREPHX1
SCHEMBL8850645 0.88 TSHR (0.38) ALDH1A1THRBTSHREPHX1
SCHEMBL8850581 0.86 TSHR (0.39) ALDH1A1THRBTSHREPHX1
SCHEMBL8852741 0.82 ALDH1A1 (0.42) ALDH1A1THRBTSHREPHX1
SCHEMBL8851393 0.81 ALDH1A1 (0.41) ALDH1A1THRBTSHREPHX1
SCHEMBL8850642 0.80 ALDH1A1 (0.43) ALDH1A1THRBTSHREPHX1
SCHEMBL8633458 0.80 ALDH1A1 (0.43) ALDH1A1THRBTSHREPHX1
SCHEMBL8850850 0.79 ALDH1A1 (0.42) ALDH1A1THRBTSHREPHX1
SCHEMBL8850660 0.77 TSHR (0.42) ALDH1A1THRBTSHREPHX1
SCHEMBL8850563 0.77

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 3 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
EP-0661307-A2 Transparent resin and plastic lens HITACHI CHEMICAL CO., LTD. (JP) 1995-07-05 EP disclosed