SCHEMBL21115434

SCHEMBL21115434

C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3)cc2F)cc(CCCOC(=O)C(=C)C)c1OCCC(CO)CO

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
APP P05067 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
SCHEMBL21097875 1.00 CYP3A4 (0.31) CYP3A4CYP2C9APPFFAR4
SCHEMBL21232285 0.99 CYP3A4 (0.31) CYP3A4CYP2C9APPFFAR4
SCHEMBL21232080 0.98
SCHEMBL21232284 0.97 FFAR4 (0.31) FFAR4
SCHEMBL22540617 0.96
SCHEMBL21231990 0.96
SCHEMBL21231971 0.94
SCHEMBL22540625 0.94
SCHEMBL18646445 0.94 TSHR (0.31) FFAR4
SCHEMBL21098134 0.93

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