SCHEMBL10104003

SCHEMBL10104003

Cn1cc[n+](C)c1N=Nc1ccc(NCCSSCCN)cc1

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
SCHEMBL10104002 0.94
SCHEMBL10104298 0.94
SCHEMBL14606377 0.88 HDAC8 (0.30)
SCHEMBL13457826 0.88 HDAC8 (0.30)
SCHEMBL13043395 0.87
SCHEMBL14502803 0.86 APP (0.30)
SCHEMBL10104361 0.86 ADRA2A (0.30)
SCHEMBL18774346 0.86
SCHEMBL13069360 0.85 MAPT (0.34)
SCHEMBL13830274 0.85 SMN1; SMN2 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2018847-B1 Hair composition comprising at least one direct disulfide dye and at least one alkali hydroxide agent and method of simultaneous styling and dyeing. ORÉAL L (FR) 2014-09-17 EP disclosed
EP-2053094-B1 Composition for dyeing keratinous fibres comprising at least one direct dye with disulphur/thiol function and at least one polymer with thiol function and method using the composition OREAL (FR) 2014-03-26 EP disclosed
US-8097044-B2 Hair compositions comprising at least one disulfide direct dye and at least one alkaline hydroxide agent and simultaneous hair shaping and dyeing processes L'OREAL S.A. (FR) 2012-01-17 US disclosed
EP-2336248-A1 Dying composition comprising a particular disulfide dye and process of dying keratinous fibres with this dye L'Oréal (FR) 2011-06-22 EP disclosed
EP-2333018-A1 Dying composition comprising a particular disulfide dye and process of dying keratinous fibres with this dye L'Oréal (FR) 2011-06-15 EP disclosed
EP-2330160-A1 Dying composition comprising a particular disulfide dye and process of dying keratinous fibres with this dye L'Oréal (FR) 2011-06-08 EP disclosed
EP-1647580-B1 Dying composition comprising a particular disulfide dye and process of dying keratinous fibres with this dye. OREAL (FR) 2011-02-16 EP disclosed
WO-2009109457-A2 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING AT LEAST ONE DIRECT DYE COMPRISING A DISULPHIDE/PROTECTED-THIOL FUNCTION AND AT LEAST ONE SILICEOUS COMPOUND COMPRISING A THIOL FUNCTION AND METHOD USING THE COMPOSITION L'OREAL (FR) 2009-09-11 WO disclosed
US-20090126755-A1 Hair compositions comprising at least one disulfide direct dye and at least one alkaline hydroxide agent and simultaneous hair shaping an dyeing processes L'OREAL S.A. (FR) 2009-05-21 US disclosed
EP-2053094-A2 Composition for dyeing keratinous fibres comprising at least one direct dye with disulphur/thiol function and at least one polymer with thiol function and method using the composition L'Oréal (FR) 2009-04-29 EP disclosed
US-7488354-B2 Dyeing composition comprising at least one disulphide dye and method of dyeing human keratin fibers using this dye L'OREAL S.A. (FR) 2009-02-10 US disclosed
US-7488354-B2 Dyeing composition comprising at least one disulphide dye and method of dyeing human keratin fibers using this dye L'OREAL S.A. (FR) 2009-02-10 US disclosed
EP-2018847-A1 Hair composition comprising at least one direct disulfide dye and at least one alkali hydroxide agent and method of simultaneous styling and dyeing. L'Oreal (FR) 2009-01-28 EP disclosed