SCHEMBL1725286

SCHEMBL1725286

CC[n+]1ccccc1.CC[n+]1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.48
CHRM2 P08172 2/20 0.48
ADRA2A P08913 2/20 0.48
ADORA3 P0DMS8 2/20 0.48
CHRM1 P11229 2/20 0.48
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
ABCB11 O95342 1/20 0.48
ESR1 P03372 1/20 0.48
PGR P06401 1/20 0.48
HTR1A P08908 1/20 0.48
DRD1 P21728 1/20 0.48
TBXA2R P21731 1/20 0.48
PTGS1 P23219 1/20 0.48
PDE4A P27815 1/20 0.48
ADRA1A P35348 1/20 0.48
OPRM1 P35372 1/20 0.48
DRD3 P35462 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL98339 1.00
Bromide SCHEMBL29826568 0.97
Hydrochloric Acid SCHEMBL28535067 0.97 ACHE (0.46) ACHECHRM2ADRA2AADORA3CHRM1
Benzene SCHEMBL7050963 0.97 KMT2A (0.50) ACHECHRM2ADRA2AADORA3CHRM1
Fluoride Ion SCHEMBL1444615 0.97
Iodide SCHEMBL679778 0.97
Hydrochloric Acid SCHEMBL365128 0.97
Hydrochloric Acid SCHEMBL28535069 0.97 KMT2A (0.50) ACHECHRM2ADRA2AADORA3CHRM1
Bromide SCHEMBL367211 0.97
Water SCHEMBL1702445 0.97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2404214-A1 ELECTRICALLY CONTROLLABLE DEVICE WITH UNIFORM COLORATION/DISCOLORATION OVER THE ENTIRE SURFACE THEREOF Saint-Gobain Glass France (FR) 2012-01-11 EP disclosed
EP-2374040-A1 ELECTRICALLY CONTROLLABLE DEVICE HAVING AN IMPROVED ROUTING OF ELECTRICAL CHARGES FROM THE ELECTROACTIVE MEDIUM Saint-Gobain Glass France (FR) 2011-10-12 EP disclosed
WO-2010100147-A1 ELECTRICALLY CONTROLLABLE DEVICE WITH UNIFORM COLORATION/DISCOLORATION OVER THE ENTIRE SURFACE THEREOF SAINT-GOBAIN GLASS FRANCE (FR) 2010-09-10 WO disclosed
WO-2010063731-A1 ELECTRICALLY CONTROLLABLE DEVICE HAVING AN IMPROVED ROUTING OF ELECTRICAL CHARGES FROM THE ELECTROACTIVE MEDIUM SAINT-GOBAIN GLASS FRANCE (FR) 2010-06-10 WO disclosed