SCHEMBL3839019

SCHEMBL3839019

C[C]=C=CC

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
SCHEMBL491719 0.75
SCHEMBL15219 0.64
SCHEMBL108872 0.64
SCHEMBL15068 0.64
SCHEMBL1086434 0.61
SCHEMBL1893768 0.61
SCHEMBL28019286 0.61
SCHEMBL7009405 0.61
SCHEMBL16859995 0.61
SCHEMBL2504052 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4216713-B2 2009-01-28 JP claimed
EP-1404324-A4 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2004-12-22 EP claimed
JP-2004536873-A 2004-12-09 JP claimed
EP-1404324-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2004-04-07 EP claimed
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2003-09-18 US claimed
WO-2002100347-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2002-12-19 WO claimed
CN-107383887-A Wear-resistant housing for electronic equipment 太仓森楚源机械设备有限公司 2017-11-24 CN disclosed
US-8314087-B2 Nitrogen-containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2012-11-20 US disclosed
EP-2114898-A2 NITROGEN-CONTAINING HETEROCYCLYL KETONES AND THEIR USE AS C-MET INHIBITORS Amgen Inc. (US) 2009-11-11 EP disclosed
EP-2085087-A1 Prodrugs of gaba analogs, compositions and uses thereof Xenoport, Inc. (US) 2009-08-05 EP disclosed
US-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2008-11-13 US disclosed
WO-2008103277-A2 NITROGEN-CONTAINING HETEROCYCLYL KETONES AND THEIR USE AS C-MET INHIBITORS AMGEN INC. (US) 2008-08-28 WO disclosed
EP-1902714-A1 Prodrugs of gaba analogs, compositions and uses thereof Xenoport, Inc. (US) 2008-03-26 EP disclosed
CN-1610661-A Allenic aryl sulfonamide hydroxamic acids as matrix metalloproteinase and TACE inhibitors WYETH CORP (US) 2005-04-27 CN disclosed