SCHEMBL6836707

SCHEMBL6836707

C=CC(=O)OCC12CCC(C1)C1CCCC12CO

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31

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
SCHEMBL5698932 0.92
SCHEMBL6836714 0.84
Acrylic Acid SCHEMBL6836710 0.82
SCHEMBL6832814 0.81 TSHR (0.39) TSHR
Maleic Acid SCHEMBL11207600 0.75
Acrylic Acid SCHEMBL6832817 0.73
SCHEMBL30729992 0.72 ALDH1A1 (0.31) TSHR
SCHEMBL9909133 0.68 TSHR (0.30) TSHR
SCHEMBL12396642 0.68 TSHR (0.30) TSHR
SCHEMBL13558714 0.68 TSHR (0.30) TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6759104-B2 LIQUID CRYSTALS DISPLAY; MIXTURE CONTAINING ACRYLATED ESTERS; PHOTOPOLYMERIZATION USING FREE RADICAL CATALYSTS MITSUBISHI CHEMICAL CORPORATION (JP) 2004-07-06 US disclosed