SCHEMBL2936738

SCHEMBL2936738

FCCOc1ccccc1OCCF

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
JAK2 O60674 1/20 0.52
GAA P10253 1/20 0.52
L3MBTL1 Q9Y468 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
KCNH2 Q12809 3/20 0.45
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
HTR1B P28222 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RAB9A P51151 2/20 0.42

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
SCHEMBL10457900 0.89 L3MBTL1 (0.63) KDM4ELMNAMAPTL3MBTL1TDP1
SCHEMBL22111020 0.85 L3MBTL1 (0.60) KDM4ELMNAMAPTL3MBTL1TDP1
SCHEMBL23582876 0.85 HTR1A (0.57) KDM4EMAPTL3MBTL1TDP1KCNH2
SCHEMBL29847096 0.85 HTR1A (0.57) KDM4EMAPTL3MBTL1TDP1KCNH2
SCHEMBL10456733 0.85 KDM4E (0.47) KDM4ELMNAMAPTJAK2GAA
SCHEMBL10932879 0.84 GAA (0.72) KDM4ELMNAMAPTJAK2GAA
SCHEMBL10458296 0.84 L3MBTL1 (0.55) LMNAMAPTGAAL3MBTL1TDP1
SCHEMBL15579434 0.84 TDP1 (0.53) KDM4ELMNAMAPTL3MBTL1TDP1
SCHEMBL1619632 0.84 HTR7 (0.58) KDM4ELMNAMAPTL3MBTL1CYP1A2
SCHEMBL10458218 0.84 KDM4E (0.45) KDM4ELMNAMAPTJAK2GAA

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104194800-B Fluoric bis(diphenyl)acetylene nematic negative liquid crystal, synthetic method and application FUJIAN SHAOWU YONGJING CHEMICAL CO., LTD. (CN) 2016-03-09 CN claimed
CN-103333697-B Nematic negative liquid crystal containing 2,3,5,6-tetrafluorotolane, synthetic method and application FUJIAN SHAOWU YONGJING CHEMICAL CO LTD 2015-06-03 CN claimed
CN-104194800-A Fluorine-containing diphenyldiacetylene nematic negative liquid crystal, synthesis method and application FUJIAN SHAOWU YONGJING CHEMICAL CO LTD 2014-12-10 CN claimed
CN-103333697-A Nematic negative liquid crystal containing 2,3,5,6-tetrafluorotolane, synthetic method and application Shanghai tianwen chemical co ltd 2013-10-02 CN claimed
US-4960884-A Insecticides, nematocides, pesticides and miticides FMC CORPORATION (US) 1990-10-02 US claimed
CN-113999685-B Liquid crystal compound containing dicyclohexyl, preparation method, composition and element 西安近代化学研究所 2023-05-02 CN disclosed
CN-113999685-A Liquid crystal compound containing bicyclohexene group, preparation method, composition and element 西安近代化学研究所 2022-02-01 CN disclosed
CN-112759509-A Compound, liquid crystal composition and display device 阜阳欣奕华材料科技有限公司 2021-05-07 CN disclosed
CN-110903832-B Negative liquid crystal compound, liquid crystal composition containing negative liquid crystal compound and application of negative liquid crystal compound 上海瓜呱科技有限公司 2021-02-12 CN disclosed
CN-110903832-A Negative liquid crystal compound, liquid crystal composition containing negative liquid crystal compound and application of negative liquid crystal compound 上海瓜呱科技有限公司 2020-03-24 CN disclosed
CN-104194800-B Fluoric bis(diphenyl)acetylene nematic negative liquid crystal, synthetic method and application FUJIAN SHAOWU YONGJING CHEMICAL CO., LTD. (CN) 2016-03-09 CN disclosed
CN-103333697-B Nematic negative liquid crystal containing 2,3,5,6-tetrafluorotolane, synthetic method and application FUJIAN SHAOWU YONGJING CHEMICAL CO LTD 2015-06-03 CN disclosed
EP-0916639-A1 LIQUID CRYSTAL COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS CONTAINING THE COMPOUNDS, AND LIQUID CRYSTAL DISPLAY DEVICES MADE BY USING THE COMPOSITIONS CHISSO CORPORATION (JP) 1999-05-19 EP disclosed
EP-0363458-B1 2,3-DIFLUOROBENZENES MERCK PATENT GMBH (DE) 1994-08-03 EP disclosed
EP-0308438-B1 LIQUID CRYSTAL PHASE CONTAINING TOLANES MERCK PATENT GmbH (DE) 1993-09-29 EP disclosed
US-5087764-A Deprotonation of a 1-substituted-2,3-difluorobenzene using an organometallic compound and reacting the reaction product with an electrophile Merck Patent Gesellschaft mit beschrankter Hafung (DE) 1992-02-11 US disclosed
EP-0363458-A1 2,3-DIFLUOROBENZENES. MERCK PATENT GMBH (DE) 1990-04-18 EP disclosed
WO-1989008629-A1 PROCESS FOR PREPARING 2,3-DIFLUOROBENZENES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 WO disclosed
EP-0308438-A1 Liquid crystal phase containing tolanes. MERCK PATENT GMBH (DE) 1989-03-29 EP disclosed
WO-1988007514-A1 TOLANES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-10-06 WO disclosed