SCHEMBL3894641

SCHEMBL3894641

C1=N/CCN2CC/N=C/C=N/CCN(CC/N=C/1)CC/N=C/C=N/CC2

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
SCHEMBL3894621 1.00
SCHEMBL13068410 0.57
SCHEMBL665551 0.55
SCHEMBL14938 0.55
SCHEMBL8159738 0.55
Benzene SCHEMBL8433217 0.54 CHRNB4 (0.33)
Benzene SCHEMBL17977967 0.54 CHRNB4 (0.33)
SCHEMBL9682842 0.54
Hydrochloric Acid SCHEMBL1529279 0.51
Bromide SCHEMBL11163335 0.51

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498432-B2 Method of synthesis of 1, 4, 7, 10, 13, 16, 21, 24-octaazabicyclo [8.8.8] hexacosane (1) and 1, 4, 7, 10, 13, 16, 21, 24-octaazabicyclo [8.8.8] hexacosa, 4, 6, 13, 15, 21, 23-hexaene (2) BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2009-03-03 US claimed
EP-4323371-B1 METAL-ORGANIC COORDINATION COMPOUND AND METHOD FOR PRODUCING THE SAME BEEOLED GMBH (DE) 2025-02-05 EP disclosed
US-20240251658-A1 METAL-ORGANIC COORDINATION COMPOUND AND METHOD FOR PRODUCING THE SAME BEEOLED GMBH (DE) 2024-07-25 US disclosed
US-20230345815-A1 METAL-ORGANIC COORDINATION COMPOUND AND METHOD FOR PRODUCING THE SAME BEEOLED GMBH (DE) 2023-10-26 US disclosed
US-20230345815-A1 METAL-ORGANIC COORDINATION COMPOUND AND METHOD FOR PRODUCING THE SAME BEEOLED GMBH (DE) 2023-10-26 US disclosed
US-20150191477-A1 Fluoride Processing Method GE HEALTHCARE LIMITED (GB) 2015-07-09 US disclosed
US-20150191477-A1 Fluoride Processing Method GE HEALTHCARE LIMITED (GB) 2015-07-09 US disclosed
US-8980221-B2 Fluoride processing method GE HEALTHCARE LIMITED (GB) 2015-03-17 US disclosed
US-8980221-B2 Fluoride processing method GE HEALTHCARE LIMITED (GB) 2015-03-17 US disclosed
US-20100285570-A1 FLUORIDE PROCESSING METHOD JACKSON ALEXANDER 2010-11-11 US disclosed
US-20100178242-A1 LABELLING METHODS GE HEALTHCARE LIMITED (GB) 2010-07-15 US disclosed
WO-2009083530-A2 FLUORIDE PROCESSING METHOD GE HEALTHCARE LIMITED (GB) 2009-07-09 WO disclosed
US-7498432-B2 Method of synthesis of 1, 4, 7, 10, 13, 16, 21, 24-octaazabicyclo [8.8.8] hexacosane (1) and 1, 4, 7, 10, 13, 16, 21, 24-octaazabicyclo [8.8.8] hexacosa, 4, 6, 13, 15, 21, 23-hexaene (2) BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2009-03-03 US disclosed
US-7498432-B2 Method of synthesis of 1, 4, 7, 10, 13, 16, 21, 24-octaazabicyclo [8.8.8] hexacosane (1) and 1, 4, 7, 10, 13, 16, 21, 24-octaazabicyclo [8.8.8] hexacosa, 4, 6, 13, 15, 21, 23-hexaene (2) BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2009-03-03 US disclosed
US-7498432-B2 Method of synthesis of 1, 4, 7, 10, 13, 16, 21, 24-octaazabicyclo [8.8.8] hexacosane (1) and 1, 4, 7, 10, 13, 16, 21, 24-octaazabicyclo [8.8.8] hexacosa, 4, 6, 13, 15, 21, 23-hexaene (2) BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2009-03-03 US disclosed
US-20040267009-A1 Method of synthesis of 1, 4, 7, 10, 13, 16, 21, 24-octaazabicyclo [8.8.8] hexacosane (1) and 1, 4, 7, 10, 13, 16, 21, 24-octaazabicyclo [8.8.8] hexacosa, 4, 6, 13, 15, 21, 23-hexaene (2) BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2004-12-30 US disclosed