SCHEMBL616429

SCHEMBL616429

CC=CCOCc1c(I)cc([Si](C)(C)C)nc1OC

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
SCHEMBL616428 1.00
SCHEMBL10048733 0.83
SCHEMBL6627639 0.82
SCHEMBL6762123 0.82
SCHEMBL614127 0.75 PDE4A (0.31)
SCHEMBL6435979 0.73
SCHEMBL6435977 0.73
SCHEMBL3176525 0.68 SQOR (0.35)
SCHEMBL616113 0.66 MCL1 (0.31)
SCHEMBL6368869 0.61 HPGD (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1378505-B1 METHOD OF SYNTHESIZING CAMPTOTHECIN-RELATING COMPOUNDS YAKULT HONSHA KK (JP) 2014-11-05 EP disclosed
US-8466287-B2 Process for producing tricyclic ketone KABUSHIKI KAISHA YAKULT HONSHA (JP) 2013-06-18 US disclosed
US-20120041204-A1 PROCESS FOR PRODUCING TRICYCLIC KETONE KABUSHIKI KAISHA YAKULT HONSHA (JP) 2012-02-16 US disclosed
US-8067595-B2 Process for producing tricyclic ketone KABUSHIKI KAISHA YAKULT HONSHA (JP) 2011-11-29 US disclosed
US-8067595-B2 Process for producing tricyclic ketone KABUSHIKI KAISHA YAKULT HONSHA (JP) 2011-11-29 US disclosed
US-20090023927-A1 Process for producing tricyclic ketone KABUSHIKI KAISHA YAKULT HONSHA (JP) 2009-01-22 US disclosed
US-20090023927-A1 Process for producing tricyclic ketone KABUSHIKI KAISHA YAKULT HONSHA (JP) 2009-01-22 US disclosed
US-7378555-B2 Method of synthesizing camptothecin-relating compounds KABUSHIKI KAISHA YAKULT HONSHA (JP) 2008-05-27 US disclosed
US-7378555-B2 Method of synthesizing camptothecin-relating compounds KABUSHIKI KAISHA YAKULT HONSHA (JP) 2008-05-27 US disclosed
EP-1900740-A1 PROCESS FOR PRODUCING TRICYCLIC KETONE Kabushiki Kaisha Yakult Honsha (JP) 2008-03-19 EP disclosed
US-7126000-B2 Method of synthesizing camptothecin-relating compounds KABUSHIKI KAISHA YAKULT HONSHA (JP) 2006-10-24 US disclosed
US-6982333-B2 Intermediates in the synthesis of camptothecin and related compounds and synthesis thereof UNIVERSITY OF PITTSBURGH (US) 2006-01-03 US disclosed
US-20040106830-A1 Method of synthesizing camptothecin-relating compounds KABUSHIKI KAISHA YAKULT HONSHA (JP) 2004-06-03 US disclosed
US-20040063947-A1 Novel intermediates in the synthesis of camptothecin and related compounds and synthesis thereof UNIVERSITY OF PITTSBURGH 2004-04-01 US disclosed
EP-1378505-A1 METHOD OF SYNTHESIZING CAMPTOTHECIN-RELATING COMPOUNDS Kabushiki Kaisha Yakult Honsha (JP) 2004-01-07 EP disclosed
US-6620937-B2 Annulation, cyclization UNIVERSITY OF PITTSBURGH 2003-09-16 US disclosed
US-20010029298-A1 Novel intermediates in the synthesis of camptothecin and related compounds and synthesis thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-10-11 US disclosed
US-6252079-B1 CYCLIZATION OF CHEMICAL INTERMEDIATE; REACTING WITH ARYL ISONITRILE UNIVERSITY OF PITTSBURGH 2001-06-26 US disclosed
US-6211371-B1 REACTING AN ARYL ISONIRILE WITH AN ISOQUINOLIN-1-ONE COMPOUND UNIVERSITY OF PITTSBURGH 2001-04-03 US disclosed
WO-1999001456-A1 SYNTHESIS OF AND INTERMEDIATES FOR CAMPTOTHECINS UNIVERSITY OF PITTSBURGH (US) 1999-01-14 WO disclosed