SCHEMBL10179527

SCHEMBL10179527

O=C(Oc1cc(F)cc(F)c1)C(F)F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
SLC6A3 Q01959 1/20 0.31
SOD1 P00441 1/20 0.31
VEGFA P15692 2/20 0.31
EPAS1 Q99814 1/20 0.31
ELANE P08246 1/20 0.31
PPARG P37231 1/20 0.30
PPARA Q07869 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
SCHEMBL10180337 0.81 CES2 (0.41) CYP4F2CYP4A11CES2CES1CA1
SCHEMBL10179758 0.80 ESR1 (0.49) CES2CES1PPARGPPARA
SCHEMBL10181415 0.78 ELANE (0.42) CES2CES1CA1ELANEPPARG
SCHEMBL3663090 0.78 CYP4F2 (0.42) CYP4F2CYP4A11CES2CES1TP53
SCHEMBL10180334 0.77 CES2 (0.38) CYP4F2CYP4A11CES2CES1SLC6A3
SCHEMBL21810570 0.77 CYP4F2 (0.47) CYP4F2CYP4A11CES2CES1CA12
SCHEMBL18697338 0.75 CYP4F2 (0.46) CYP4F2CYP4A11CES2CES1CA12
SCHEMBL28452476 0.74 CYP4F2 (0.46) CYP4F2CYP4A11CES2CES1CA12
SCHEMBL10181517 0.74 CES2 (0.41) CES2CES1MAPTVEGFAELANE
SCHEMBL1995396 0.73 CYP4F2 (0.69) CYP4F2CYP4A11CES2CES1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4193399-A2 ELECTRONIC DEVICE Merck Patent GmbH (DE) 2023-06-14 EP disclosed
CN-116194434-A Electronic device 默克专利有限公司 2023-05-30 CN disclosed
CN-107074797-B Material for electronic devices 默克专利有限公司 2022-04-15 CN disclosed
CN-107681052-B Main group metal complexes as p-dopants for organic electronic matrix materials 西门子公司 2020-03-24 CN disclosed
US-10347849-B2 Sequential functionalization of phosphorescent emitter layers SIEMENS AKTIENGESELLSCHAFT (DE) 2019-07-09 US disclosed
US-20180182979-A1 Sequential Functionalization Of Phosphorescent Emitter Layers SIEMENS AKTIENGESELLSCHAFT (DE) 2018-06-28 US disclosed
CN-107074797-A Material for electronic device 默克专利有限公司 2017-08-18 CN disclosed
CN-104685647-A Main group metal complexes as p-dopants for organic electronic matrix materials SIEMENS AG 2015-06-03 CN disclosed
CN-104541383-A Metal complexes as p-type dopants for organic electronic matrix materials SIEMENS AG 2015-04-22 CN disclosed
CN-104112870-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2014-10-22 CN disclosed
US-20130244122-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME ONUKI MASAMICHI (JP) 2013-09-19 US disclosed
US-20120219866-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 EP disclosed
CN-102484281-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2012-05-30 CN disclosed