SCHEMBL4267248

SCHEMBL4267248

NC1=C(N)/C2=N/C3=N/C(=N\C4=N/C(=N\C5=N/C(=N\C1=N2)C(N)=C5N)C(N)=C4N)C(N)=C3N

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
SCHEMBL9579151 0.45 CASP1 (0.50)
SCHEMBL25853 0.45
SCHEMBL8356506 0.45 CASP1 (0.50)
SCHEMBL8465809 0.45 CASP1 (0.50)
SCHEMBL1246293 0.42 MEN1 (0.30)
Hydrochloric Acid SCHEMBL11027200 0.36
SCHEMBL2390695 0.36
SCHEMBL17713916 0.36
SCHEMBL16874180 0.36
SCHEMBL7746873 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524891-B2 Tetraazaporphyrin-based compounds and their uses BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2013-09-03 US disclosed
EP-0764168-B1 HETEROATOM-FUNCTIONALIZED PORPHYRAZINES AND MULTIMETALLIC COMPLEXES AND POLYMERS DERIVED THEREFROM HOFFMAN BARRETT L L C (US) 2009-11-18 EP disclosed
US-20090215105-A1 Tetraazaporphyrin-Based Compounds and Their Uses NATIONAL SCIENCE FOUNDATION 2009-08-27 US disclosed
EP-1912921-A2 TETRAAZAPORPHYRIN-BASED COMPOUNDS AND THEIR USES Board Of Supervisors Of Louisiana State University And Agricultural And Mechanical College (US) 2008-04-23 EP disclosed
WO-2007009101-A2 TETRAAZAPORPHYRIN-BASED COMPOUNDS AND THEIR USES BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2007-01-18 WO disclosed
US-5912341-A Heteroatom-functionalized porphyrazines and multimetallic complexes and polymers derived therefrom HOFFMAN/BARRETT, L.L.C. (US) 1999-06-15 US disclosed
WO-1999012929-A2 HETEROATOM-FUNCTIONALIZED PORPHYRAZINES AND MULTIMETALLIC COMPLEXES AND POLYMERS DERIVED THEREFROM HOFFMAN/BARRETT, L.L.C. (US) 1999-03-18 WO disclosed
US-5675001-A Heteroatom-functionalized porphyrazines and multimetallic complexes and polymers derived therefrom HOFFMAN/BARRETT, L.L.C. (US) 1997-10-07 US disclosed
EP-0764168-A1 HETEROATOM-FUNCTIONALIZED PORPHYRAZINES AND MULTIMETALLIC COMPLEXES AND POLYMERS DERIVED THEREFROM Hoffman/Barrett, L.L.C. (US) 1997-03-26 EP disclosed
WO-1996028449-A1 HETEROATOM-FUNCTIONALIZED PORPHYRAZINES AND MULTIMETALLIC COMPLEXES AND POLYMERS DERIVED THEREFROM HOFFMAN/BARRETT, L.L.C. (US) 1996-09-19 WO disclosed