SCHEMBL21115769

SCHEMBL21115769

C=C(C)C(=O)OCCc1cc(-c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3F)c(CC)c2)ccc1OCC(C)(CO)CO

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL21115625 0.97 PPARD (0.30) PPARDFFAR4
SCHEMBL21115841 0.96 PPARD (0.33) PPARDFFAR4
SCHEMBL21232400 0.93 FFAR4 (0.31) PPARDFFAR4
SCHEMBL21115581 0.93 PPARD (0.30) PPARD
SCHEMBL21115649 0.93 PPARD (0.33) PPARDFFAR4
SCHEMBL21115594 0.92 FFAR4 (0.32) FFAR4
SCHEMBL21231988 0.90 PPARD (0.32) PPARDFFAR4
SCHEMBL21115624 0.90 FFAR4 (0.30) FFAR4
SCHEMBL22484221 0.89 PPARD (0.30) PPARD
SCHEMBL21115676 0.89 PPARD (0.30) PPARD

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-3502209-B1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2020-10-14 EP disclosed
EP-3502209-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT Merck Patent GmbH (DE) 2019-06-26 EP disclosed