SCHEMBL21097775

SCHEMBL21097775

C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(C4CCC(C)CC4)cc3)cc2CC)ccc1OCCC(CO)CO

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.32
RARA P10276 2/20 0.31
RARB P10826 2/20 0.31
RARG P13631 2/20 0.31
SRD5A2 P31213 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MCHR1 Q99705 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
SCHEMBL21097774 0.95 SRD5A2 (0.32) FFAR4RARARARBRARGSRD5A2
SCHEMBL21097798 0.92 CNR1 (0.32) FFAR4
SCHEMBL21098603 0.91 CNR1 (0.32) FFAR4
SCHEMBL18646388 0.91 TSHR (0.30)
SCHEMBL21232067 0.90 TSHR (0.31) FFAR4
SCHEMBL21097845 0.88 FFAR4 (0.31) FFAR4RARARARBRARG
SCHEMBL21097847 0.87 FFAR4 (0.30) FFAR4RARARARBRARG
SCHEMBL21097846 0.87 FFAR4 (0.33) FFAR4RARARARBRARG
SCHEMBL20288547 0.87
SCHEMBL21115707 0.87 PPARD (0.30) FFAR4

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 4 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-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
US-20190185754-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2019-06-20 US disclosed