SCHEMBL20052525

SCHEMBL20052525

C=CCOc1ccc(C2CCCCC2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.41
HTR2B P41595 6/20 0.41
HTR2A P28223 7/20 0.40
PTGDR2 Q9Y5Y4 6/20 0.40
ADRB2 P07550 2/20 0.38
HTR1A P08908 2/20 0.38
CHRM5 P08912 2/20 0.38
ADRA2A P08913 2/20 0.38
DRD2 P14416 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
DRD4 P21917 2/20 0.38
HRH2 P25021 2/20 0.38
SLC6A4 P31645 2/20 0.38
HTR7 P34969 2/20 0.38
DRD3 P35462 2/20 0.38
HTR6 P50406 2/20 0.38
KCNH2 Q12809 2/20 0.38
PTGDR Q13258 2/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL19986380 0.95 HTR2C (0.38) HTR2CHTR2BHTR2APTGDR2ADRB2
SCHEMBL18517278 0.92 HTR2C (0.38) HTR2CHTR2BHTR2APTGDR2ADRB2
SCHEMBL8934901 0.91 FEN1 (0.38) HTR2CHTR2BHTR2APTGDR2PTGDR
SCHEMBL12733639 0.86 HTR2C (0.42) HTR2CHTR2BHTR2AADRB2HTR1A
SCHEMBL172389 0.86 HTR2C (0.42) HTR2CHTR2BHTR2AADRB2HTR1A
SCHEMBL10301654 0.85 HTR2C (0.41) HTR2CHTR2BHTR2AADRB2HTR1A
SCHEMBL8961823 0.84 HTR2C (0.34) HTR2CHTR2BHTR2APTGDR2ADRB2
SCHEMBL14765795 0.83 HTR2C (0.41) HTR2CHTR2BHTR2AADRB2HTR1A
SCHEMBL18712357 0.83 HTR2C (0.41) HTR2CHTR2BHTR2AADRB2HTR1A
SCHEMBL12140870 0.82 HTR2C (0.40) HTR2CHTR2BHTR2AADRB2HTR1A

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 10 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
US-20230007940-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCKP PATENT GMBH (DE) 2023-01-12 US disclosed
US-11072742-B2 Liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2021-07-27 US disclosed
US-20210139777-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2021-05-13 US disclosed
US-10934487-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2021-03-02 US disclosed
US-10894918-B2 Liquid crystal medium containing polymerisable compounds MERCK PATENT GMBH (DE) 2021-01-19 US disclosed
US-20200291298-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2020-09-17 US disclosed
US-20190185754-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2019-06-20 US disclosed
US-9944416-B2 Filling device and use thereof for dispensing a fluid MERCK PATENT GMBH (DE) 2018-04-17 US disclosed
US-9737854-B2 Process for the purification of a liquid-crystal mixture MERCK PATENT GMBH (DE) 2017-08-22 US disclosed