SCHEMBL19720334

SCHEMBL19720334

Fc1cc(CCC2CCCCC2)ccc1-c1cc(F)c(F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.36
DAO P14920 1/20 0.36
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 1/20 0.33
FAAH O00519 1/20 0.33
PTGS2 P35354 1/20 0.33
CHKA P35790 1/20 0.33
PARP14 Q460N5 1/20 0.33
BRS3 P32247 1/20 0.33
BCHE P06276 1/20 0.33
MAOB P27338 2/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL19720372 0.87 RORC (0.38) RORCDAOCYP3A4CYP2C9FAAH
SCHEMBL14032104 0.86 ALOX5AP (0.34) RORCCHKAMAOBMAOA
SCHEMBL14597272 0.86 SLC6A2 (0.34) CHKAMAOBMAOA
SCHEMBL17827771 0.84 GPR84 (0.40) MAOB
SCHEMBL19883166 0.84 RORC (0.36) RORCDAOCYP3A4CYP2C9FAAH
SCHEMBL19720332 0.84 GPR84 (0.39) DAOBRS3MAOBPDGFRBPDGFRA
SCHEMBL9260065 0.83 DAO (0.44) DAOPARP14MAOBPDGFRBPDGFRA
SCHEMBL12032132 0.81 RARB (0.33) CHKAMAOBMAOA
SCHEMBL9012848 0.80 RARB (0.31) MAOBMAOA
SCHEMBL9012850 0.80 RARB (0.31) MAOBMAOA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3985085-A2 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2022-04-20 EP disclosed
WO-2021148421-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2021-07-29 WO disclosed
EP-3666853-B1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2021-06-16 EP disclosed
EP-3666853-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2020-06-17 EP disclosed
EP-3327102-B1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2020-04-15 EP disclosed
EP-3327102-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY Merck Patent GmbH (DE) 2018-05-30 EP disclosed
EP-2855630-B1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2017-12-20 EP disclosed