SCHEMBL3859359

SCHEMBL3859359

CCCc1ccn(C)c1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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 SCHEMBL30330951 1.00 LPL (0.35)
SCHEMBL30329965 0.87 CA2 (0.38)
SCHEMBL13211848 0.86 HSD11B1 (0.40)
Hydrochloric Acid SCHEMBL30330881 0.85 HSD11B1 (0.39)
SCHEMBL28176546 0.83 PTGS2 (0.47)
SCHEMBL3192861 0.83 PTGS2 (0.47)
SCHEMBL28162889 0.83 PTGS2 (0.47)
Bromide SCHEMBL20548266 0.81 PTGS2 (0.46)
Cyanide SCHEMBL30330747 0.81 HSD11B1 (0.37)
Trifluoromethanesulfonic Acid SCHEMBL30329978 0.81 CA2 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104584293-A Flexible transparent air-metal batteries EMPIRE TECHNOLOGY DEV LLC 2015-04-29 CN claimed
US-7582122-B2 Mixed cationic dyes comprising at least one anthraquinone chromophore and their use in methods of hair dyeing L'OREAL S.A. (FR) 2009-09-01 US claimed
US-20090062517-A2 Dissymmetrical Diazo Compounds Containing Having at Least One 2-imidazolium Unit and a Cationic or Non-cationic Linker, Compositions Comprising Them, Method of Coloring, and Device L'OREAL S.A. (FR) 2009-03-05 US claimed
US-7438728-B2 Dissymmetrical diazo compounds comprising 2-pyridinium group and a cationic or non-cationic linker, compositions comprising them, method for coloring, and device L'OREAL S.A. (FR) 2008-10-21 US claimed
US-20080168607-A1 Unsymmetrical Diazo Compounds, Compositions Comprising Same, Dyeing Method and Device Comprising Said Compositions DAVID HERVE 2008-07-17 US claimed
US-7396368-B2 Symmetrical diazo compounds comprising 4-pyridinium groups and a cationic or non-cationic linker, compositions comprising them, method for coloring, and device L'OREAL S.A. (FR) 2008-07-08 US claimed
US-7351267-B2 Symmetrical diazo compounds comprising 2-imidazolium groups and a non-cationic linke, compositions comprising them, method of coloring, and device L'OREAL S.A. (FR) 2008-04-01 US claimed
CN-101124218-A Unsymmetrical diazo compounds, compositions comprising same, dyeing method and device comprising said compositions OREAL (FR) 2008-02-13 CN claimed
US-7288639-B2 Dyssymmetrical diazo compounds having at least one 4-pyridinium unit and a cationic or non-cationic linker, compositions comprising them, method of coloring, and device L'OREAL S.A. (FR) 2007-10-30 US claimed
EP-1836193-A1 UNSYMMETRICAL DIAZO COMPOUNDS, COMPOSITIONS COMPRISING SAME, DYEING METHOD AND DEVICE COMPRISING SAID COMPOSITIONS L'Oréal (FR) 2007-09-26 EP claimed
EP-1679312-A2 Cationic symmetric 2-imidazolium diazo compounds with a cationic linking group,compositions comprising them, a dying process and kit thereof L'OREAL (FR) 2006-07-12 EP claimed
US-20060149044-A1 Dissymmetrical diazo compounds comprising 2-pyridinium group and a cationic or non-cationic linker, compositions comprising them, method for coloring, and device L'OREAL S.A. (FR) 2006-07-06 US claimed
WO-2006063866-A1 UNSYMMETRICAL DIAZO COMPOUNDS, COMPOSITIONS COMPRISING SAME, DYEING METHOD AND DEVICE COMPRISING SAID COMPOSITIONS L'ORÉAL (FR) 2006-06-22 WO claimed
WO-2006063869-A2 SYMMETRICAL DIAZO COMPOUNDS WITH 3-PYRIDINIUM GROUPS AND CATIONIC LINKER ARM, COMPOSITIONS COMPRISING SAME, DYEING METHOD AND DEVICE L'OREAL (FR) 2006-06-22 WO claimed
WO-2006063867-A2 SYMMETRICAL DIAZO COMPOUNDS CONTAINING 3-PYRIDINIUM GROUPS AND A NON-CATIONIC LINKER, COMPOSITIONS COMRISISNG THEM, METHOD OF COLOURING, AND DEVICE L'ORÉAL (FR) 2006-06-22 WO claimed
EP-1671971-A1 Symmetric 4-pyridinium diazo compounds with a cationic or non cationic linking group, compositions comprising them , a dying process and kit thereof L'OREAL (FR) 2006-06-21 EP claimed
EP-1671952-A1 Dissymmetrical diazo dyes and their use in hair colouring compositions L'OREAL (FR) 2006-06-21 EP claimed
EP-1671954-A1 Diazo compounds containing a 2-imidazolium group and their use in dyeing compositions L'OREAL (FR) 2006-06-21 EP claimed
EP-1671951-A1 Non symmetric 2-pyridinium diazo compounds with a cationic or non cationic linking group, compositions comprising them, a dying process and kit thereof L'OREAL (FR) 2006-06-21 EP claimed
EP-1671955-A1 Cationic symmetric imidazole diazocompounds with a non cationic linking group, compositions comprising them, dying process and kit thereof L'OREAL (FR) 2006-06-21 EP claimed