SCHEMBL6667045

SCHEMBL6667045

FC1CCc2ccccc2C1F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.47
PDPK1 O15530 1/20 0.47
CYP11B2 P19099 1/20 0.44
RET P07949 1/20 0.41
HTR2A P28223 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
HTR6 P50406 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 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
SCHEMBL4756410 0.88 IDO1 (0.50) IDO1PDPK1
SCHEMBL30715518 0.79 IDO1 (0.44) IDO1PDPK1CYP11B2
SCHEMBL18378585 0.79 IDO1 (0.44) IDO1PDPK1CYP11B2RETHTR2A
SCHEMBL17057925 0.77 IDO1 (0.50) IDO1PDPK1CYP11B2RETHTR2A
SCHEMBL29458344 0.77 IDO1 (0.50) IDO1PDPK1CYP11B2RETHTR2A
SCHEMBL9776721 0.77 IDO1 (0.50) IDO1PDPK1CYP11B2RETHTR2A
SCHEMBL16242534 0.77 MAOB (0.47) HTR2ASIGMAR1MAOAMAOB
SCHEMBL18995777 0.75 PDPK1 (0.58) IDO1PDPK1CA1CA2HTR6
SCHEMBL864856 0.73 IDO1 (0.50) IDO1PDPK1CYP11B2RETHTR2A
SCHEMBL11671198 0.72 SRD5A1 (0.55) IDO1PDPK1CYP11B2RETHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102992972-B Liquid crystal compound and preparation and application thereof BEIJING BAYI SPACE LCD MATERIALS TECHNOLOGY CO LTD 2015-01-07 CN disclosed
CN-102888227-B Liquid crystal compound and preparation method and application thereof BEIJING BAYI SPACE LCD MATERIALS TECHNOLOGY CO LTD 2014-11-26 CN disclosed
CN-102992972-A Liquid crystal compound and preparation and application thereof BEIJING BAYI SPACE LCD MATERIALS TECHNOLOGY CO LTD 2013-03-27 CN disclosed
CN-1829786-A Chroman derivative and liquid-crystal composition containing the compound DAINIPPON INK & CHEMICALS (JP) 2006-09-06 CN disclosed
JP-2004352931-A LIQUID CRYSTAL COMPOSITION CONTAINING DIFLUOROTETRAHYDRONAPHTHALENE DERIVATIVE AND LIQUID CRYSTALLINE COMPOUND DAINIPPON INK & CHEM INC 2004-12-16 JP disclosed
US-6491989-B1 6,7-DIFLUORO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES, 1,1,6,7-TETRAFLUORO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES, 1,6,7-TRIFLUORONAPHTHALENE DERIVATIVES AND 2,3-DIFLUORONAPHTHALENE DERIVATIVES AVENTIS RESEACH & TECHNOLOGIES GMBH & CO. KG (DE) 2002-12-10 US disclosed
JP-2002284722-A METHOD FOR PRODUCING 5,6,7-TRIFLUORO-1,2,3,4- TETRAHYDRONAPHTHALENE DERIVATIVE DAINIPPON INK & CHEM INC 2002-10-03 JP disclosed
US-6159392-A 5,7-difluoro-1,2,3,4-tetrahydronaphthalene derivatives and their use thereof in liquid crystal mixtures AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2000-12-12 US disclosed