SCHEMBL3113183

SCHEMBL3113183

Nc1cccc(/C=C/c2cccc(N)c2-c2ccnnn2)c1-c1ccnnn1

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
SCHEMBL5490445 0.95
SCHEMBL8978053 0.78 SUMO2 (0.30)
SCHEMBL7558871 0.77
SCHEMBL1012568 0.74 NFE2L2 (0.37)
SCHEMBL4056348 0.72 SUMO2 (0.31)
SCHEMBL6323747 0.72 NFE2L2 (0.31)
SCHEMBL517628 0.70 ALDH1A1 (0.38)
SCHEMBL30677882 0.70 DHFR (0.39)
SCHEMBL30785927 0.70 DHFR (0.39)
SCHEMBL8612737 0.70 DHFR (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070258912-A1 Use of Fluorescent Whitening Agents as Antimicrobials CIBA SPECIALTY CHEMICALS CORP. 2007-11-08 US claimed
EP-1776086-A2 USE OF FLUORESCENT WHITENING AGENTS AS ANTIMICROBIALS Ciba Specialty Chemicals Holding Inc. (CH) 2007-04-25 EP claimed
WO-2006015959-A2 USE OF FLUORESCENT WHITENING AGENTS AS ANTIMICROBIALS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-02-16 WO claimed
EP-0682145-B1 Textile treatment CIBA SC HOLDING AG (CH) 2004-08-25 EP claimed
US-5688758-A CATIONIC, AMPHOTERIC, OR ANIONIC SURFACTANTS, FLUORESCENT WHITENING DYES AND FABRIC CARE COMPOUNDS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1997-11-18 US claimed
EP-0682145-A2 Textile treatment CIBA-GEIGY AG (CH) 1995-11-15 EP claimed
EP-0323399-B1 OPTICAL BRIGHTENER DISPERSION CIBA-GEIGY AG (CH) 1993-02-17 EP claimed
US-5051111-A Whitener dispersion CIBA-GEIGY CORPORATION (US) 1991-09-24 US claimed
EP-0323399-A1 Optical brightener dispersion CIBA-GEIGY AG (CH) 1989-07-05 EP claimed
JP-1170659-A None JP disclosed
EP-1792001-B1 SHADING PROCESS BASF SE (DE) 2013-01-23 EP disclosed
US-8293695-B2 Shading composition BASF SE (DE) 2012-10-23 US disclosed
US-20100299849-A1 SHADING PROCESS HOEHENER ALFRED 2010-12-02 US disclosed
US-7799098-B2 Shading process CIBA SPECIALTY CHEMICALS CORP. (US) 2010-09-21 US disclosed
EP-0659877-A2 Composition for the treatment of textiles CIBA-GEIGY AG (CH) 1995-06-28 EP disclosed
EP-0323399-B1 OPTICAL BRIGHTENER DISPERSION CIBA-GEIGY AG (CH) 1993-02-17 EP disclosed
US-5051111-A Whitener dispersion CIBA-GEIGY CORPORATION (US) 1991-09-24 US disclosed
JP-H01170659-A WHITENER DISPERSION CIBA GEIGY AG 1989-07-05 JP disclosed
EP-0323399-A1 Optical brightener dispersion CIBA-GEIGY AG (CH) 1989-07-05 EP disclosed
US-4410621-A Photosensitive resin containing a combination of diphenyl-imiazolyl dimer and a heterocyclic mercaptan TOYO BOSEKI KABUSHIKI KAISHA (JP) 1983-10-18 US disclosed