SCHEMBL1165127

SCHEMBL1165127

CCCCCCCCCCCCCCc1ccc([N+]#N)cc1.F[B-](F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.50
▸ ADRA2A P08913 2/20 0.50
▸ ADORA3 P0DMS8 2/20 0.50
▸ TACR2 P21452 2/20 0.50
▸ SLC6A2 P23975 2/20 0.50
▸ SLC6A4 P31645 2/20 0.50
▸ SLC6A3 Q01959 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ SHBG P04278 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ HSPD1 P10809 1/20 0.50
▸ ADRB3 P13945 1/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ HSPE1 P61604 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ TST Q16762 1/20 0.50

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
SCHEMBL16698233 1.00 ESR1 (0.50) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL16697684 1.00 ESR1 (0.50) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL4861523 1.00 ESR1 (0.50) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL4849154 0.93 CA2 (0.43) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL114795 0.93 ESR1 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL19829487 0.93 ESR1 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL10820927 0.93 ESR1 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL21539565 0.93 ESR1 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL6287956 0.93 ESR1 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2
Hydrochloric Acid SCHEMBL10821042 0.91 ESR1 (0.55) ESR1ADRA2AADORA3TACR2SLC6A2

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 18 patents. 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
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-7384815-B2 One step; high functionality; maintains critical properties; polymer composite materials, molecular electronics, sensor devices WILLIAM MARSH RICE UNIVERSITY (US) 2008-06-10 — — US disclosed
US-20080093224-A1 PROCESS FOR DERIVATIZING CARBON NANOTUBES WITH DIAZONIUM SPECIES AND COMPOSITIONS THEREOF WILLIAM MARSH RICE UNIVERSITY 2008-04-24 — — US disclosed
US-7304103-B2 One step; high functionality; maintains critical properties; polymer composite materials, molecular electronics, sensor devices WILLIAM MARSH RICE UNIVERSITY (US) 2007-12-04 — — US disclosed
US-7250147-B2 One step; high functionality; maintains critical properties; polymer composite materials, molecular electronics, sensor devices NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2007-07-31 — — US disclosed
EP-1750859-A2 PATTERNING CARBON NANOTUBE COATINGS BY SELECTIVE CHEMICAL MODIFICATION Elkos, Inc. (US) 2007-02-14 — — EP disclosed
WO-2006078286-A2 PATTERNING CARBON NANOTUBE COATINGS BY SELECTIVE CHEMICAL MODIFICATION EIKOS, INC. (US) 2006-07-27 — — WO 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
Send feedback