SCHEMBL1304591

SCHEMBL1304591

N#[N+]c1ccc([N+]#N)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
Hydrochloric Acid SCHEMBL11205797 0.96
SCHEMBL13567593 0.89 ALDH1A1 (0.32)
Hydrochloric Acid SCHEMBL29520700 0.86 ALDH1A1 (0.30)
SCHEMBL5380526 0.86
SCHEMBL5370217 0.86
SCHEMBL14128896 0.83
SCHEMBL3469053 0.83
SCHEMBL260430 0.83
SCHEMBL12450540 0.83
SCHEMBL261743 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709632-B2 such as porphyrins, chlorins, texaphyrins via cyclization, oligomerization JOHNSON THOMAS E 2010-05-04 US claimed
US-20250170265-A1 DIAZONIUM COMPOUNDS AND METHODS OF USE FOR DNA CLEAVAGE NEW YORK UNIVERSITY (US) 2025-05-29 US disclosed
US-11124617-B2 Materials coated with calixarenes UNIVERSITE LIBRE DE BRUXELLES (ULB) (BE) 2021-09-21 US disclosed
EP-2836539-B1 MATERIALS COATED WITH CALIXARENES UNIV LIBRE DE BRUXELLES ULB (BE) 2019-09-18 EP disclosed
US-20190233358-A1 MATERIALS COATED WITH CALIXARENES UNIVERSITE LIBRE DE BRUXELLES (ULB) (BE) 2019-08-01 US disclosed
US-10329232-B2 Materials coated with calixarenes UNIVERSITE LIBRE DE BRUXELLES (ULB) (BE) 2019-06-25 US disclosed
EP-2842944-B1 METHOD FOR PRODUCING NITROGEN-CONTAINING HETEROCYCLIC COMPOUND NIPPON SODA CO (JP) 2017-03-15 EP disclosed
US-9324955-B2 Triazolium and tetrazolium derivatives as organic light emitters THE TRUSTEES OF DARTMOUTH COLLEGE (US) 2016-04-26 US disclosed
EP-2557078-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME NIPPON SODA CO (JP) 2016-03-23 EP disclosed
EP-2730561-B1 Methods to prepare haloalkyl nitrogen-containing heterocyclic compounds NIPPON SODA CO (JP) 2015-10-14 EP disclosed
EP-1716153-B1 METHODS, COMPOSITIONS, AND APPARATUSES FOR FORMING MACROCYCLIC COMPOUNDS JOHNSON THOMAS E (US) 2013-10-09 EP disclosed
EP-2557078-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME Nippon Soda Co., Ltd. (JP) 2013-02-13 EP disclosed
US-20130023664-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME NIPPON SODA CO., LTD. (JP) 2013-01-24 US disclosed
US-8053571-B2 Methods, compositions, and apparatuses for forming macrocyclic compounds JOHNSON THOMAS E 2011-11-08 US disclosed
US-20100216970-A1 METHODS, COMPOSITIONS, AND APPARATUSES FOR FORMING MACROCYCLIC COMPOUNDS JOHNSON THOMAS E 2010-08-26 US disclosed
US-7709632-B2 such as porphyrins, chlorins, texaphyrins via cyclization, oligomerization JOHNSON THOMAS E 2010-05-04 US disclosed
EP-1716153-A4 METHODS, COMPOSITIONS, AND APPARATUSES FOR FORMING MACROCYCLIC COMPOUNDS JOHNSON THOMAS E (US) 2008-12-17 EP disclosed
US-20070217965-A1 Methods, compositions, and apparatuses for forming macrocyclic compounds JOHNSON THOMAS E 2007-09-20 US disclosed
EP-1716153-A2 METHODS, COMPOSITIONS, AND APPARATUSES FOR FORMING MACROCYCLIC COMPOUNDS Johnson, Thomas E. (US) 2006-11-02 EP disclosed
WO-2006025859-A2 METHODS, COMPOSITIONS, AND APPARATUSES FOR FORMING MACROCYCLIC COMPOUNDS JOHNSON THOMAS E (US) 2006-03-09 WO disclosed