SCHEMBL21115581

SCHEMBL21115581

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

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 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
SCHEMBL21115676 0.97 PPARD (0.30) PPARD
SCHEMBL21115989 0.96 PPARD (0.33) PPARD
SCHEMBL21232379 0.95
SCHEMBL21232228 0.93 S1PR1 (0.32)
SCHEMBL22484221 0.93 PPARD (0.30) PPARD
SCHEMBL21115745 0.93 PPARD (0.33) PPARD
SCHEMBL21115769 0.93 PPARD (0.31) PPARD
SCHEMBL21115840 0.92 FFAR4 (0.30)
SCHEMBL21232237 0.91 PPARD (0.32) PPARD
SCHEMBL21232302 0.90 PPARD (0.32) 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