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) —
SCHEMBL5370217 0.86 — —
SCHEMBL5380526 0.86 — —
SCHEMBL3469053 0.83 — —
SCHEMBL14128896 0.83 — —
SCHEMBL970836 0.83 — —
SCHEMBL112852 0.83 — —
SCHEMBL12450540 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
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