SCHEMBL33726

SCHEMBL33726

Cn1nc(N)c(N)c1N

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
SCHEMBL7643598 0.81 CCNT1 (0.30)
SCHEMBL219198 0.74
SCHEMBL34154 0.74
Hydrochloric Acid SCHEMBL8139723 0.72 GAA (0.35)
SCHEMBL2955890 0.72
Hydrochloric Acid SCHEMBL7108773 0.72 PKM (0.47)
Hydrochloric Acid SCHEMBL922698 0.72 GAA (0.56)
SCHEMBL7147410 0.69 CCNT1 (0.34)
SCHEMBL34103 0.69 CCNT1 (0.38)
SCHEMBL8025227 0.69

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

Appears in 3667 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11555017-B2 Oxidation base derived from 1-hexyl-4,5-diaminopyrazole, composition containing same and use thereof in oxidation dyeing of keratin fibres L'OREAL (FR) 2023-01-17 US claimed
US-20200392088-A1 NOVEL OXIDATION BASE DERIVED FROM 1-HEXYL-4,5- DIAMINOPYRAZOLE, COMPOSITION CONTAINING SAME AND USE THEREOF IN OXIDATION DYEING OF KERATIN FIBRES L'OREAL (FR) 2020-12-17 US claimed
EP-3142638-B1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AN OXIDATION BASE AND A PARTICULAR HETEROARYL COUPLER OREAL (FR) 2020-08-12 EP claimed
EP-3464247-B1 NOVEL OXIDATION BASE DERIVED FROM 1-HEXYL-4,5- DIAMINOPYRAZOLE, COMPOSITION CONTAINING SAME AND USE THEREOF IN OXIDATION DYEING OF KERATIN FIBRES OREAL (FR) 2020-03-11 EP claimed
EP-3464247-A1 NOVEL OXIDATION BASE DERIVED FROM 1-HEXYL-4,5- DIAMINOPYRAZOLE, COMPOSITION CONTAINING SAME AND USE THEREOF IN OXIDATION DYEING OF KERATIN FIBRES L'Oréal (FR) 2019-04-10 EP claimed
US-9993409-B2 Composition for dyeing keratin fibres, comprising an oxidation base and a particular heteroaryl coupler L'OREAL (FR) 2018-06-12 US claimed
WO-2017202884-A1 NOVEL OXIDATION BASE DERIVED FROM 1-HEXYL-4,5- DIAMINOPYRAZOLE, COMPOSITION CONTAINING SAME AND USE THEREOF IN OXIDATION DYEING OF KERATIN FIBRES L'OREAL (FR) 2017-11-30 WO claimed
US-20170087075-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AN OXIDATION BASE AND A PARTICULAR HETEROARYL COUPLER L'OREAL (FR) 2017-03-30 US claimed
EP-3142638-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AN OXIDATION BASE AND A PARTICULAR HETEROARYL COUPLER L'OREAL (FR) 2017-03-22 EP claimed
WO-2016083593-A1 DYEING COMPOSITION COMPRISING AT LEAST ONE PARTICULAR 2-AMINOIMIDAZOLE COUPLER AND AN OXIDATION BASE, PROCESSES AND DEVICES L'OREAL (FR) 2016-06-02 WO claimed
EP-0786244-B1 Oxidation hair-dye comprising 3,4,5 triaminopyrazole derivatives, and novel 3,4,5 triaminopyrazole derivatives WELLA AG (DE) 2001-09-19 EP claimed
WO-2001041717-A2 NEW COLOURING COMBINATION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-06-14 WO claimed
US-6241784-B1 COSMETICS OR SKIN COMPOSITION FOR TREATING FIBERS L'OREAL S.A. (FR) 2001-06-05 US claimed
US-6228129-B1 OXIDATION BASE, CATIONIC DIRECT DYE AND AN ENZYME OF 2-ELECTRON OXIDOREDUCTASES IN THE PRESENCE OF A DONOR FOR THE ENZYME L'OREAL S.A. (FR) 2001-05-08 US claimed
EP-1093788-A1 Oxydative dyeing composition for keratinic fibres and dyeing process using this composition L'OREAL (FR) 2001-04-25 EP claimed
EP-1068860-A1 Dyeing composition containing 1-acetoxy naphthalene, two oxidation bases and a coupling agent L'OREAL (FR) 2001-01-17 EP claimed
EP-1011619-A1 DYEING COMPOSITION FOR KERATIN FIBRES L'OREAL (FR) 2000-06-28 EP claimed
WO-1999011231-A1 DYEING COMPOSITION FOR KERATIN FIBRES L'OREAL (FR) 1999-03-11 WO claimed
US-5766576-A NONTOXIC DYE DEVELOPER; WASHFASTNESS, COLORFASTNESS, RED COLOR INTENSITY WELLA AKTIENGESELLSCHAFT (DE) 1998-06-16 US claimed
EP-0786244-A1 Oxidation hair-dye comprising 3,4,5 triaminopyrazole derivatives, and novel 3,4,5 triaminopyrazole derivatives Wella Aktiengesellschaft (DE) 1997-07-30 EP claimed