SCHEMBL2368073

SCHEMBL2368073

O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Na+]

nearest known ligand 0.56

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB known ✓ P10828 1/20 0.56
CA2 known ✓ P00918 15/20 0.38
CA1 known ✓ P00915 14/20 0.38
MMP1 P03956 2/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
MMP8 P22894 2/20 0.38
MMP13 P45452 2/20 0.38
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.31
F2 P00734 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30

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
SCHEMBL28669167 1.00 THRB (0.56) THRBCA2CA1MMP1MMP2
SCHEMBL1238985 1.00 THRB (0.56) THRBCA2CA1MMP1MMP2
SCHEMBL29841771 1.00 THRB (0.56) THRBCA2CA1MMP1MMP2
SCHEMBL4871654 1.00 THRB (0.56) THRBCA2CA1MMP1MMP2
SCHEMBL3366661 1.00 THRB (0.56) THRBCA2CA1MMP1MMP2
SCHEMBL28403558 1.00 THRB (0.56) THRBCA2CA1MMP1MMP2
SCHEMBL28411715 1.00 THRB (0.56) THRBCA2CA1MMP1MMP2
SCHEMBL151831 1.00 THRB (0.56) THRBCA2CA1MMP1MMP2
SCHEMBL5067306 1.00 THRB (0.56) THRBCA2CA1MMP1MMP2
SCHEMBL28659605 1.00 THRB (0.56) THRBCA2CA1MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107989600-B Water-based trace chemical tracer and method for measuring connectivity between water injection wells 捷贝通石油技术集团股份有限公司 2023-09-12 CN claimed
CN-114822961-B Tensile high-flame-retardance cable 湖南湘江电缆有限公司 2023-08-18 CN claimed
CN-115779870-A Hydrophilic oleophobic oil-water separation material and preparation method thereof 武汉维晨科技有限公司 2023-03-14 CN claimed
CN-111100731-B Lubricating grease and preparation method thereof 中国石油化工股份有限公司 2022-10-21 CN claimed
CN-114822961-A Tensile high-flame-retardant cable 湖南湘江电缆有限公司 2022-07-29 CN claimed
CN-113653486-A Slow-release type long-acting tracer and preparation method thereof 捷贝通石油技术集团股份有限公司 2021-11-16 CN claimed
CN-111100731-A Lubricating grease and preparation method thereof 中国石油化工股份有限公司 2020-05-05 CN claimed
CN-107989600-B Water-based trace chemical tracer and method for measuring connectivity between water injection wells 捷贝通石油技术集团股份有限公司 2023-09-12 CN disclosed
CN-114822961-B Tensile high-flame-retardance cable 湖南湘江电缆有限公司 2023-08-18 CN disclosed
CN-116601239-A Coated plate-like titanic acid particles, method for producing same, and use thereof 石原产业株式会社 2023-08-15 CN disclosed
CN-115779870-A Hydrophilic oleophobic oil-water separation material and preparation method thereof 武汉维晨科技有限公司 2023-03-14 CN disclosed
CN-111100731-B Lubricating grease and preparation method thereof 中国石油化工股份有限公司 2022-10-21 CN disclosed
CN-114822961-A Tensile high-flame-retardant cable 湖南湘江电缆有限公司 2022-07-29 CN disclosed
WO-2010023673-A1 LIQUID COMPOSITIONS AND USES THEREOF FOR GENERATING DIFFUSION ORDERED NMR SPECTRA OF MIXTURES YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (IL) 2010-03-04 WO disclosed
US-7351342-B2 Method for recovering fluorine-containing emulsifier ASAHI GLASS COMPANY, LIMITED (JP) 2008-04-01 US disclosed
EP-1514848-B1 PROCESS FOR THE RECOVERY OF FLUORINE-CONTAINING EMULSIFIERS SASAKURA ENG CO LTD (JP) 2006-04-05 EP disclosed
US-20050150833-A1 Method for recovering fluorine-containing emulsifier ASAHI GLASS COMPANY LIMITED (JP) 2005-07-14 US disclosed
EP-1514848-A1 PROCESS FOR THE RECOVERY OF FLUORINE-CONTAINING EMULSIFIERS Sasakura Engineering Co. Ltd. (JP) 2005-03-16 EP disclosed
US-20030098282-A1 Method for adsorbing and recovering fluorine-containing emulsifier ASAHI GLASS COMPANY, LIMITED (JP) 2003-05-29 US disclosed
EP-1314700-A1 Method for absorbing and recovering fluorine-containing emulsifier ASAHI GLASS COMPANY LTD. (JP) 2003-05-28 EP disclosed