SCHEMBL4048358

SCHEMBL4048358

Fc1ccc(C(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
TDO2 P48775 2/20 0.48
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
ACHE P22303 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
AOC3 Q16853 1/20 0.37
CYP19A1 P11511 1/20 0.37

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
SCHEMBL662302 0.86 PGK1 (0.38) IDO1TDO2
Bromide SCHEMBL9813321 0.82 NOTUM (0.37)
SCHEMBL2489611 0.76 IDO1 (0.50) IDO1TDO2HDAC3HDAC4HDAC1
SCHEMBL6204475 0.75 IDO1 (0.44) IDO1TDO2HDAC3HDAC4HDAC1
SCHEMBL4454516 0.75 IDO1 (0.44) IDO1TDO2HDAC3HDAC4HDAC1
SCHEMBL28823221 0.75 IDO1 (0.44) IDO1TDO2HDAC3HDAC4HDAC1
SCHEMBL4457204 0.75 IDO1 (0.50) IDO1TDO2HDAC3HDAC4HDAC1
SCHEMBL21994503 0.75 IDO1 (0.44) IDO1TDO2HDAC3HDAC4HDAC1
SCHEMBL21840890 0.75 IDO1 (0.44) IDO1TDO2HDAC3HDAC4HDAC1
SCHEMBL29021074 0.75 IDO1 (0.44) IDO1TDO2HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118146504-A Polyimide compound, preparation method and application 中国科学院大连化学物理研究所 2024-06-07 CN claimed
CN-117466770-A Preparation method of 2-nitro-4- (trifluoromethyl) benzonitrile 北京颖泰嘉和生物科技股份有限公司 2024-01-30 CN claimed
CN-114195433-B Environment-friendly waterproof material for buildings 河南兰堡湾涂料科技有限公司 2022-11-18 CN claimed
CN-114349409-A Composite material for building and preparation method thereof 湖北淇源新材料科技有限公司 2022-04-15 CN claimed
CN-114195433-A Environment-friendly waterproof material for buildings 湖北淇源新材料科技有限公司 2022-03-18 CN claimed
CN-110066295-B Preparation method of pentafluoroethoxy cyclotriphosphazene 衢州康鹏化学有限公司 2021-10-26 CN claimed
US-4691066-A METAL CHLORIDE AND IODINE AS CATALYST OF IMPROVED SELECTIVITY CENTRAL GLASS COMPANY, LIMITED (JP) 1987-09-01 US claimed
EP-4380936-A1 PYRAZOLOPYRIDINONE COMPOUNDS BeiGene, Ltd. (KY) 2024-06-12 EP disclosed
CN-118146504-A Polyimide compound, preparation method and application 中国科学院大连化学物理研究所 2024-06-07 CN disclosed
CN-117466770-A Preparation method of 2-nitro-4- (trifluoromethyl) benzonitrile 北京颖泰嘉和生物科技股份有限公司 2024-01-30 CN disclosed
CN-117303991-A 4-trifluoromethyl substituted aromatic amine and synthesis method thereof 江苏笃行致远新材料科技有限公司 2023-12-29 CN disclosed
CN-116565324-B Lithium ion battery electrolyte and lithium ion battery comprising same 华中科技大学 2023-10-20 CN disclosed
CN-116565324-A Lithium ion battery electrolyte and lithium ion battery comprising same 华中科技大学 2023-08-08 CN disclosed
WO-1995011214-A1 4-TRIFLUOROMETHYLBENZENES AND THEIR USE IN LIQUID-CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 1995-04-27 WO disclosed
WO-1995010498-A1 3,4,5-TRIFLUOROBENZENES AND THEIR USE IN LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 1995-04-20 WO disclosed
WO-1995010495-A1 2,3,4,5-TETRAFLUOROBENZENES AND THEIR USE IN LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 1995-04-20 WO disclosed
WO-1995010496-A1 2,3,4-TRIFLUOROBENZENES AND THEIR USE IN LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 1995-04-20 WO disclosed
WO-1995009828-A1 2,4,5-TRIFLUOROBENZENES AND THEIR USE IN LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 1995-04-13 WO disclosed
WO-1995009829-A1 2,4-DIFLUOROBENZENES AND THEIR USE IN LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 1995-04-13 WO disclosed
WO-1995009827-A1 3,4-DIFLUOROBENZENES AND THEIR USE IN LIQUID-CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 1995-04-13 WO disclosed