SCHEMBL2706356

SCHEMBL2706356

[C-]#[N+]/C(C#N)=C1/c2cc(-c3c(F)c(F)c(F)c(F)c3F)ccc2-c2nc3c(nc21)-c1ccc(-c2c(F)c(F)c(F)c(F)c2F)cc1/C3=C(/C#N)[N+]#[C-]

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
SCHEMBL2705664 0.95
SCHEMBL12114372 0.87
SCHEMBL2704058 0.86 ESR1 (0.31)
SCHEMBL2705370 0.85
SCHEMBL2705378 0.83 USP8 (0.43)
SCHEMBL2756373 0.83 ALDH1A1 (0.33)
SCHEMBL2706771 0.82 ADORA1 (0.33)
SCHEMBL2706873 0.82 CYP11B2 (0.40)
SCHEMBL10073224 0.81 USP8 (0.31)
SCHEMBL2705681 0.81 KIF11 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160329505-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, INK COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-11-10 US disclosed
US-20160226002-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING THIS MATERIAL, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-08-04 US disclosed
US-20160218299-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-28 US disclosed
US-20160204361-A1 CARBAZOLE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT WHICH COMPRISES SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE EACH MANUFACTURED USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-07-14 US disclosed
US-20160197288-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, ELECTRONIC DEVICE, AND METHOD FOR PRODUCING COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed
US-20150303380-A1 ORGANIC ELECTROLUMINESCENT DEVICE MAGNOLIA BLUE CORPORATION (JP) 2015-10-22 US disclosed
US-20140246663-A1 ORGANIC ELECTROLUMINESCENT ELEMENT JDI DESIGN AND DEVELOPMENT G.K. (JP) 2014-09-04 US disclosed
US-8088901-B2 Azaindenofluorenedione derivative, material for organic electroluminescence device and organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-01-03 US disclosed
US-20090315022-A1 AZAINDENOFLUORENEDIONE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2009-12-24 US disclosed