SCHEMBL21098032

SCHEMBL21098032

C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(C4CCC(CCCC)CC4)cc3)cc2CC)cc(CCCOC(=O)C(=C)C)c1OCCC(CC)(CO)CO

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL18645449 0.98 TSHR (0.30)
SCHEMBL21231967 0.97 TSHR (0.31) FFAR4
SCHEMBL21098033 0.96 CYP2C9 (0.33) FFAR4
SCHEMBL22540672 0.96 TSHR (0.31) FFAR4
SCHEMBL21097834 0.96 FFAR4 (0.30) FFAR4
SCHEMBL21097848 0.96 FFAR4 (0.30) FFAR4
SCHEMBL22665930 0.95 TSHR (0.31) FFAR4
SCHEMBL21115620 0.94
SCHEMBL21098139 0.94 TSHR (0.30)
SCHEMBL21675435 0.94 TSHR (0.30)

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
US-11072742-B2 Liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2021-07-27 US disclosed
EP-3502209-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT Merck Patent GmbH (DE) 2019-06-26 EP disclosed
US-20190185754-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2019-06-20 US disclosed