SCHEMBL2210744

SCHEMBL2210744

N[C]1C=CC=C(N)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
SCHEMBL11785228 0.72
SCHEMBL11402652 0.72
SCHEMBL3649604 0.72
SCHEMBL2247166 0.72
Hydrochloric Acid SCHEMBL9314771 0.64 PARP1 (0.39)
SCHEMBL19988004 0.63
SCHEMBL12847209 0.61
SCHEMBL23031136 0.60
SCHEMBL22212865 0.58
SCHEMBL320324 0.57

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2739601-B1 PHOTOALIGNING MATERIAL ROLIC AG (CH) 2016-03-16 EP claimed
US-7530685-B2 Trisazo dyes for inks for ink jet printing FUJIFILM IMAGING COLORANTS LIMITED (GB) 2009-05-12 US claimed
US-20060054054-A1 Trisazo dyes for inks for ink jet printing AVECIA INKJET LIMITED (GB) 2006-03-16 US claimed
US-4265813-A Azo dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1981-05-05 US claimed
WO-2023230472-A1 INHIBITORS OF MOLLUSCUM CONTAGIOSUM INFECTION AND METHODS USING THE SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2023-11-30 WO disclosed
EP-2933852-B2 Phosphorescent OLED and hole transporting materials for phosphorescent OLEDs NOVALED GMBH (DE) 2023-09-06 EP disclosed
CN-113382863-A Multilayer polyimide film for graphite sheet, method for preparing same, and graphite sheet prepared therefrom 聚酰亚胺先端材料有限公司 2021-09-10 CN disclosed
EP-2933852-B1 Phosphorescent OLED and hole transporting materials for phosphorescent OLEDs NOVALED GMBH (DE) 2017-05-17 EP disclosed
US-20170047519-A1 Phosphorescent OLED and Hole Transporting Materials for Phosphorescent OLEDs NOVALED GMBH (DE) 2017-02-16 US disclosed
CN-103702970-A photoalignment material ROLIC AG 2014-04-02 CN disclosed
CN-101400640-B Method for producing 1,2-phenylethane compound using atom transfer radical coupling reaction NIPPON SODA CO 2013-05-08 CN disclosed
EP-1563012-B1 TRISAZO DYES FOR INKS FOR INK JET PRINTING FUJIFILM IMAGING COLORANTS LTD (GB) 2011-07-27 EP disclosed
EP-1881955-A1 BIS-AMINATION OF ARYL HALIDES Boehringer Ingelheim International GmbH (DE) 2008-01-30 EP disclosed
WO-2006124283-A1 BIS-AMINATION OF ARYL HALIDES BOEHRINGER INGELHEIM INTERNATIONAL, GMBH (DE) 2006-11-23 WO disclosed
US-20060258888-A1 Bis-Amination of Aryl Halides BOEHRINGER INGELHEIM INTERNATIONAL, GMBH (DE) 2006-11-16 US disclosed
US-20060054054-A1 Trisazo dyes for inks for ink jet printing AVECIA INKJET LIMITED (GB) 2006-03-16 US disclosed
CN-1668662-A Solid polymer electrolyte NIPPON SODA CO (JP) 2005-09-14 CN disclosed
EP-0026886-B1 CONCENTRATED PREPARATIONS OF DYESTUFFS BAYER AG (DE) 1984-06-20 EP disclosed
US-4265813-A Azo dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1981-05-05 US disclosed
EP-0026886-A2 Concentrated preparations of dyestuffs BAYER AG (DE) 1981-04-15 EP disclosed