SCHEMBL1460481

SCHEMBL1460481

[c]1ccc2c(c1)CCc1cc(-c3ccc4cc5cc[c]cc5cc4c3)ccc1-2

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.33

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
SCHEMBL1276461 0.79 ESR1 (0.39) HSD17B1
SCHEMBL11898490 0.74 ESR1 (0.47) HSD17B1
SCHEMBL4824206 0.73
SCHEMBL134194 0.73
SCHEMBL2251915 0.73 ESR1 (0.48) HSD17B1
SCHEMBL2256257 0.73 ESR1 (0.48) HSD17B1
SCHEMBL1044899 0.71
SCHEMBL3241439 0.71
SCHEMBL1413199 0.71
SCHEMBL3241848 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483370-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS Merck Patent GmbH (DE) 2012-08-08 EP disclosed
WO-2011035842-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2011-03-31 WO disclosed