SCHEMBL21095478

SCHEMBL21095478

Cc1ccc2c(oc3c(F)c(C4=CCC(C)CC4)ccc32)c1F

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.31
KCNH2 Q12809 1/20 0.31
GRM2 Q14416 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
SCHEMBL20179296 0.88 NR1I2 (0.31) NR1I2KCNH2GRM2
SCHEMBL20179295 0.84 PDE3B (0.31)
SCHEMBL172342 0.83 SLC6A4 (0.31) NR1I2KCNH2GRM2
SCHEMBL20179283 0.81
SCHEMBL21095479 0.81 NR1I2 (0.31) NR1I2KCNH2GRM2
SCHEMBL24589260 0.80
SCHEMBL18900959 0.79 SLC6A4 (0.34) NR1I2KCNH2GRM2
SCHEMBL170373 0.79 SLC6A4 (0.34) NR1I2KCNH2GRM2
SCHEMBL13000418 0.79 ESR2 (0.31)
SCHEMBL22145777 0.78 PIM1 (0.34)

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
US-11873438-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2024-01-16 US disclosed
EP-3628721-B1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-03-01 EP disclosed
US-11370969-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2022-06-28 US disclosed
WO-2020127528-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2020-06-25 WO disclosed
EP-3628721-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2020-04-01 EP disclosed
WO-2019115485-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-06-20 WO disclosed
WO-2019110636-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-06-13 WO disclosed