Fluoride

Fluoride

SCHEMBL4338539

COc1ccc(S)cc1.F.F.F.F.F.F.[As]

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.61
CA2 P00918 3/20 0.61
CA7 P43166 2/20 0.61
CA9 Q16790 2/20 0.61
CA12 O43570 1/20 0.61
CA14 Q9ULX7 1/20 0.61
ACHE P22303 1/20 0.50
IDO1 P14902 1/20 0.48
TDP1 Q9NUW8 3/20 0.48
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
Fluoride SCHEMBL29094692 0.97 CA1 (0.65) CA1CA2CA7CA9CA12
Fluoride SCHEMBL28297155 0.94 CA1 (0.61) CA1CA2CA7CA9CA12
Fluoride SCHEMBL22472137 0.94 CA1 (0.61) CA1CA2CA7CA9CA12
SCHEMBL50514 0.94
SCHEMBL28010058 0.92 CA1 (0.65) CA1CA2CA7CA9CA12
SCHEMBL6512391 0.92 CA1 (0.65) CA1CA2CA7CA9CA12
SCHEMBL6521833 0.92 CA1 (0.65) CA1CA2CA7CA9CA12
SCHEMBL5302598 0.92 CA1 (0.65) CA1CA2CA7CA9CA12
Hydrogen Sulfide SCHEMBL27634199 0.92 CA1 (0.65) CA1CA2CA7CA9CA12
SCHEMBL27744604 0.92 CA1 (0.65) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105940767-A Sealing agent for organic electroluminescence display element 积水化学工业株式会社 2016-09-14 CN disclosed
CN-103828062-B Composition for organic semiconductor insulating film and organic semiconductor insulating film 东亚合成株式会社 2016-08-17 CN disclosed
CN-103828062-A Composition for organic semiconductor insulating film and organic semiconductor insulating film TOAGOSEI CO LTD 2014-05-28 CN disclosed
EP-2108027-A1 HARDCOAT COMPOSITION Mitsui Chemicals, Inc. (JP) 2009-10-14 EP disclosed
WO-2008087741-A1 HARDCOAT COMPOSITION MITSUI CHEMICALS, INC. (JP) 2008-07-24 WO disclosed
EP-1791824-A1 RADICALLY POLYMERIZABLE SULFUR-CONTAINING COMPOUND AND RADICALLY POLYMERIZABLE SULFUR-CONTAINING POLYMER Showa Denko K.K. (JP) 2007-06-06 EP disclosed
WO-2006033438-A1 RADICALLY POLYMERIZABLE SULFUR-CONTAINING COMPOUND AND RADICALLY POLYMERIZABLE SULFUR-CONTAINING POLYMER SHOWA DENKO K.K. (JP) 2006-03-30 WO disclosed