SCHEMBL1165124

SCHEMBL1165124

COC(=O)c1ccc([N+]#N)cc1.F[B-](F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 1/20 0.47
MAPT P10636 5/20 0.46
ALDH1A1 P00352 3/20 0.46
LOXL2 Q9Y4K0 1/20 0.44
RAB9A P51151 4/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 3/20 0.44
MEN1 O00255 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 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
SCHEMBL27691665 0.93 CA1 (0.57) CA1CA2CA12CA7CA9
SCHEMBL28391478 0.83 CA1 (0.56) CA1CA2CA12CA7CA9
SCHEMBL28385934 0.82 CA12 (0.46) CA1CA2CA12CA7CA9
SCHEMBL28316854 0.80 LOXL2 (0.46) CA1CA2CA12CA7CA9
SCHEMBL11479272 0.79 MAPT (0.45) TDP1MAPTALDH1A1RAB9AKMT2A
SCHEMBL240289 0.77 TSHR (0.50) CA1CA2CA12CA7CA9
4-Methylbenzoic Acid Methyl Ester SCHEMBL28655144 0.77 TDP1 (0.83) CA1CA2CA12CA7CA9
SCHEMBL31247126 0.77 CA12 (0.40) CA1CA2CA12CA7CA9
SCHEMBL4165510 0.76 NOTUM (0.46) CA1CA2CA12CA7CA9
SCHEMBL5054189 0.76 KDM4E (0.44) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1750859-A2 PATTERNING CARBON NANOTUBE COATINGS BY SELECTIVE CHEMICAL MODIFICATION Elkos, Inc. (US) 2007-02-14 EP claimed
WO-2006078286-A2 PATTERNING CARBON NANOTUBE COATINGS BY SELECTIVE CHEMICAL MODIFICATION EIKOS, INC. (US) 2006-07-27 WO claimed
US-20060057290-A1 Patterning carbon nanotube coatings by selective chemical modification EIKOS, INC. 2006-03-16 US claimed
CN-111057023-A 1-aryl-tetrazole-5-nitrile and 2-aryl-tetrazole-5-nitrile and preparation method thereof 天津大学 2020-04-24 CN disclosed
CN-106928091-B Fluorochemical and its synthetic method 南开大学 2018-12-04 CN disclosed
CN-106928091-A Fluorochemical and its synthetic method 南开大学 2017-07-07 CN disclosed
WO-2012150280-A2 PREPARATION OF 4,4-DIALKOXY-1-BUTEN-1-YLARENES LONZA LTD (CH) 2012-11-08 WO disclosed
WO-2012150281-A1 PREPARATION OF 3,3-DIALKXOY-1-METHYLENEPROPYL ARENES LONZA LTD (CH) 2012-11-08 WO disclosed
US-7892517-B2 Process for derivatizing carbon nanotubes with diazonium species and compositions thereof WILLIAM MARSH UNIVERSITY (US) 2011-02-22 US disclosed
US-7691359-B2 One step; high functionality; maintains critical properties; polymer composite materials, molecular electronics, sensor devices WILLIAM MARSH RICE UNIVERSITY (US) 2010-04-06 US disclosed
US-20090301896-A1 PROCESS FOR DERIVATIZING CARBON NANOTUBES WITH DIAZONIUM SPECIES AND COMPOSITIONS THEREOF WILLIAM MARSH RICE UNIVERSITY (US) 2009-12-10 US disclosed
US-20060057290-A1 Patterning carbon nanotube coatings by selective chemical modification EIKOS, INC. 2006-03-16 US disclosed
US-20050207963-A1 One step; high functionality; maintains critical properties; polymer composite materials, molecular electronics, sensor devices WILLIAM MARSH RICE UNIVERSITY (US) 2005-09-22 US disclosed
US-20050074390-A1 One step; high functionality; maintains critical properties; polymer composite materials, molecular electronics, sensor devices WILLIAM MARSH RICE UNIVERSITY (US) 2005-04-07 US disclosed
US-20050074613-A1 One step; high functionality; maintains critical properties; polymer composite materials, molecular electronics, sensor devices WILLIAM MARSH RICE UNIVERSITY (US) 2005-04-07 US disclosed
US-20040071624-A1 One step; high functionality; maintains critical properties; polymer composite materials, molecular electronics, sensor devices NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2004-04-15 US disclosed
WO-2002060812-A2 PROCESS FOR DERIVATIZING CARBON NANOTUBES WITH DIAZONIUM SPECIES AND COMPOSITIONS THEREOF WILLIAM MARSH RICE UNIVERSITY (US) 2002-08-08 WO disclosed
EP-0653414-B1 Process for preparing alkyl esters of fluorbenzoic acid by reaction of a fluor-benzoylchlorides with an alcohol in the presence of an alkalimetal alcoholate HOECHST AG (DE) 1997-09-17 EP disclosed
US-5446190-A Process for the preparation of alkyl fluorobenzoates in high purity and high yield HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-29 US disclosed
EP-0653414-A1 Process for preparing alkyl esters of fluorbenzoic acid by reaction of a fluor-benzoylchlorides with an alkohol in the presence of an alkalimetal alcoholate HOECHST AKTIENGESELLSCHAFT (DE) 1995-05-17 EP disclosed