SCHEMBL21115971

SCHEMBL21115971

C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3)c(CC)c2)cc(CCCOC(=O)C(=C)C)c1OCCC(C)(CO)CO

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.32
TSHR P16473 2/20 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
SCHEMBL21231958 0.99 FFAR4 (0.32) FFAR4TSHR
SCHEMBL18646444 0.98 FFAR4 (0.32) FFAR4TSHR
SCHEMBL22592371 0.96 FFAR4 (0.31) FFAR4TSHR
SCHEMBL17070489 0.95 TSHR (0.31) TSHR
SCHEMBL21115828 0.94 FFAR4 (0.31) FFAR4
SCHEMBL21232041 0.93 FFAR4 (0.32) FFAR4
SCHEMBL21232373 0.93
SCHEMBL21232398 0.93
SCHEMBL18645718 0.93 TSHR (0.30) TSHR
SCHEMBL23315179 0.92 TSHR (0.31) FFAR4TSHR

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