SCHEMBL6045282

SCHEMBL6045282

ONc1ccccc1I

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
SCHEMBL31126634 1.00
SCHEMBL15563795 0.79 IDO1 (0.48)
SCHEMBL15563794 0.79 IDO1 (0.48)
SCHEMBL32667954 0.78 IDO1 (0.50)
SCHEMBL8410093 0.78 IDO1 (0.50)
SCHEMBL1686520 0.77 C1R (0.43)
SCHEMBL18752868 0.75 MAPT (0.35)
SCHEMBL19548224 0.74
SCHEMBL14763519 0.72
SCHEMBL13184883 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238122-A1 IGM COMPOSITIONS AND METHODS OF MUCOSAL DELIVERY OF THESE COMPOSITIONS UNIV LOUISIANA AT LAFAYETTE (US) 2021-08-05 US claimed
US-9394229-B2 Method of producing chiral N-substituted allylic amine compounds UNIVERSITY OF LOUISIANA AT LAFAYETTE (US) 2016-07-19 US claimed
US-20150259276-A1 METHOD OF PRODUCING CHIRAL N-SUBSTITUTED ALLYLIC AMINE COMPOUNDS UNIVERSITY OF LOUISIANA AT LAFAYETTE 2015-09-17 US claimed
WO-2014025927-A1 METHOD OF PRODUCING CHIRAL N-SUBSTITUTED ALLYLIC AMINE COMPOUNDS UNIVERSITY OF LOUISIANA AT LAFAYETTE (US) 2014-02-13 WO claimed
US-12129268-B2 Chiral N-substituted allylic amine compounds UNIVERSITY OF LOUISIANA AT LAFAYETTE (US) 2024-10-29 US disclosed
US-20210238200-A1 CHIRAL N-SUBSTITUTED ALLYLIC AMINE COMPOUNDS UNIVERSITY OF LOUISIANA AT LAFAYETTE 2021-08-05 US disclosed
US-20210238122-A1 IGM COMPOSITIONS AND METHODS OF MUCOSAL DELIVERY OF THESE COMPOSITIONS UNIV LOUISIANA AT LAFAYETTE (US) 2021-08-05 US disclosed
US-20210238122-A1 IGM COMPOSITIONS AND METHODS OF MUCOSAL DELIVERY OF THESE COMPOSITIONS UNIV LOUISIANA AT LAFAYETTE (US) 2021-08-05 US disclosed
US-20210238200-A1 CHIRAL N-SUBSTITUTED ALLYLIC AMINE COMPOUNDS UNIVERSITY OF LOUISIANA AT LAFAYETTE 2021-08-05 US disclosed
US-11021494-B2 Chiral N-substituted allylic amine compounds UNIVERSITY OF LOUISIANA AT LAFAYETTE (US) 2021-06-01 US disclosed
US-11021494-B2 Chiral N-substituted allylic amine compounds UNIVERSITY OF LOUISIANA AT LAFAYETTE (US) 2021-06-01 US disclosed
US-20190106440-A1 COMPOSITION OF MATTER UNIVERSITY OF LOUISIANA AT LAFAYETTE 2019-04-11 US disclosed
US-20150259276-A1 METHOD OF PRODUCING CHIRAL N-SUBSTITUTED ALLYLIC AMINE COMPOUNDS UNIVERSITY OF LOUISIANA AT LAFAYETTE 2015-09-17 US disclosed
WO-2014025927-A1 METHOD OF PRODUCING CHIRAL N-SUBSTITUTED ALLYLIC AMINE COMPOUNDS UNIVERSITY OF LOUISIANA AT LAFAYETTE (US) 2014-02-13 WO disclosed
US-7109377-B2 Synthesis of combinatorial libraries of compounds reminiscent of natural products PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-09-19 US disclosed
WO-2004080925-A2 SYNTHESIS OF TETRAHYDRO-1,2-OXAZINES BY THE CYCLOADDITION OF NITRONES WITH CYCLOPROPANES THE UNIVERSITY OF WESTERN ONTARIO (CA) 2004-09-23 WO disclosed
US-20030082830-A1 Synthesis of combinatorial libraries of compounds reminiscent of natural products NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-05-01 US disclosed
US-6448443-B1 GENERATED FROM DIVERSIFIABLE SCAFFOLDS SYNTHESIZED FROM THE PYRIDINE-BASED TEMPLATE ISONICOTINAMIDE; ALSO PROVIDES A NOVEL ORTHO-NITROBENZYL PHOTOLINKER; SYNTHESIZED FROM A SHIKIMIC ACID BASED EPOXYOL TEMPLATE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-09-10 US disclosed
WO-2000006525-A9 SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS HARVARD COLLEGE (US) 2000-04-20 WO disclosed
WO-2000006525-A2 SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-02-10 WO disclosed