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SCHEMBL21115649

SCHEMBL21115649

C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3F)cc2CC)ccc1OCC(C)(CO)CO

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 2/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 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
SCHEMBL21115841 0.97 PPARD (0.33) PPARDFFAR4CYP3A4CYP2C9
SCHEMBL21231988 0.96 PPARD (0.32) PPARDFFAR4CYP3A4CYP2C9
SCHEMBL21115625 0.96 PPARD (0.30) PPARDFFAR4
SCHEMBL21115586 0.93 FFAR4 (0.32) FFAR4CYP3A4CYP2C9
SCHEMBL21231981 0.93 FFAR4 (0.32) FFAR4
SCHEMBL21115591 0.93 FFAR4 (0.32) FFAR4
SCHEMBL21232400 0.93 FFAR4 (0.31) PPARDFFAR4CYP3A4CYP2C9
SCHEMBL21115745 0.93 PPARD (0.33) PPARD
SCHEMBL21115769 0.93 PPARD (0.31) PPARDFFAR4
SCHEMBL21232016 0.92 PPARD (0.33) PPARDFFAR4

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
EP-3730591-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2020-10-28 — — EP 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