SCHEMBL676578

SCHEMBL676578

CCC(=O)C(C)=COC

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
SCHEMBL676577 1.00
SCHEMBL811234 0.84
SCHEMBL811235 0.84
SCHEMBL9330650 0.78 ALDH1A1 (0.35)
SCHEMBL9330653 0.78 ALDH1A1 (0.35)
SCHEMBL11654422 0.77 ALDH1A1 (0.32)
SCHEMBL7171273 0.76 GAA (0.48)
SCHEMBL7171261 0.76 GAA (0.48)
SCHEMBL26713884 0.75 TDP1 (0.30)
Propane SCHEMBL17224456 0.75 APEX1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957056-B2 Migrastatin analogs in the treatment of cancer SLOAN-KETTERING INSTIUTE FOR CANCER RESEARCH (US) 2015-02-17 US disclosed
US-8835693-B2 Migrastatin analogs and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2014-09-16 US disclosed
US-20140011844-A1 MIGRASTATIN ANALOGS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2014-01-09 US disclosed
US-8324284-B2 Migrastatin analogs and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-12-04 US disclosed
US-8202911-B2 Migrastatin analog compositions and uses thereof CORNELL RESEARCH FOUNDATION, INC. (US) 2012-06-19 US disclosed
US-20110281916-A1 MIGRASTATIN ANALOGS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-11-17 US disclosed
US-20110263653-A1 MIGRASTATIN ANALOG COMPOSITIONS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-10-27 US disclosed
US-7943800-B2 Migrastatin analogs and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-05-17 US disclosed
US-20090124662-A1 Migrastatin analogs in the treatment of cancer SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2009-05-14 US disclosed
US-20070037852-A1 Migrastatin analogs and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-02-15 US disclosed
US-20070037783-A1 Migrastatin analogs and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-02-15 US disclosed
EP-1613603-A2 MIGRASTATIN ANALOGS AND USES THEREOF Sloan-Kettering Institute For Cancer Research (US) 2006-01-11 EP disclosed
WO-2006001967-A2 MIGRASTATIN ANALOGS IN THE TREATMENT OF CANCER SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2006-01-05 WO disclosed
EP-1608626-A1 MIGRASTATIN ANALOG COMPOSITIONS AND USES THEREOF CORNELL RESEARCH FOUNDATION, INC. (US) 2005-12-28 EP disclosed
WO-2004087672-A1 MIGRASTATIN ANALOG COMPOSITIONS AND USES THEREOF CORNELL RESEARCH FOUNDATION, INC. (US) 2004-10-14 WO disclosed
WO-2004087673-A2 MIGRASTATIN ANALOGS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2004-10-14 WO disclosed
US-5292885-A Pyranone, process for its preparation, its use in the preparation of a new pyridinone and a process for the preparation of same ISOCHEM (FR) 1994-03-08 US disclosed