SCHEMBL5961794

SCHEMBL5961794

CCOc1ccc(C#Cc2ccc(C3CCC(C)CC3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
ACACB O00763 12/20 0.44
NQO1 P15559 1/20 0.44
HRH3 Q9Y5N1 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
RAB9A P51151 1/20 0.40

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
SCHEMBL9508530 1.00 ESR2 (0.46) ESR2ACACBNQO1HRH3MAOA
SCHEMBL9512520 0.96 ESR2 (0.42) ESR2ACACBNQO1HRH3MAOA
SCHEMBL12990842 0.92 ESR2 (0.53) ESR2NQO1HRH3MAOAMAOB
SCHEMBL9742349 0.91 ACACB (0.39) ESR2ACACBHRH3
SCHEMBL9742353 0.91 ACACB (0.39) ESR2ACACBHRH3
SCHEMBL9499809 0.89 ESR2 (0.40) ESR2ACACBHRH3MAOAMAOB
SCHEMBL9499816 0.89 ESR2 (0.40) ESR2ACACBHRH3MAOAMAOB
SCHEMBL13433646 0.88 RAB9A (0.47) ESR2ACACBHRH3MAOAMAOB
SCHEMBL9511312 0.88 RAB9A (0.53) ESR2ACACBHRH3MAOAMAOB
SCHEMBL9511375 0.88 RAB9A (0.47) ESR2ACACBHRH3MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303928-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT AND LIQUID CRYSTAL DISPLAY SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO.,LTD. (CN) 2023-09-28 US disclosed
WO-2021253626-A1 LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT AND LIQUID CRYSTAL DISPLAY DEVICE 石家庄诚志永华显示材料有限公司 2021-12-23 WO disclosed
WO-2021253623-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT, AND LIQUID CRYSTAL DISPLAY 石家庄诚志永华显示材料有限公司 2021-12-23 WO disclosed
WO-2021253628-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT, AND LIQUID CRYSTAL DISPLAY 石家庄诚志永华显示材料有限公司 2021-12-23 WO disclosed
WO-2021253624-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT OR LIQUID CRYSTAL DISPLAY 石家庄诚志永华显示材料有限公司 2021-12-23 WO disclosed
US-8168734-B2 Lateral alpha-substituted acrylate compound and polymer thereof JNC CORPORATION (JP) 2012-05-01 US disclosed
US-7670502-B2 Liquid crystal composition for bistable liquid crystal devices MERCK PATENT GMBH (DE) 2010-03-02 US disclosed
US-7294368-B2 Liquid crystal composition for use in bistable liquid crystal devices MERCK PATENT GMBH (DE) 2007-11-13 US disclosed
US-7258903-B2 Fast switching liquid crystal compositions for use in bistable liquid crystal devices MERCK PATENT GMBH (DE) 2007-08-21 US disclosed
US-20070176144-A1 Liquid crystal composition for bistable liquid crystal devices MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2007-08-02 US disclosed
US-7157124-B2 Polymerizable compounds and their polymers CHISSO PETROCHEMICAL CORPORATION (JP) 2007-01-02 US disclosed