SCHEMBL2238657

SCHEMBL2238657

C#C[CH]CC[CH2]

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
SCHEMBL6485684 0.72
SCHEMBL8186596 0.71
SCHEMBL16287942 0.69
SCHEMBL16287940 0.69
SCHEMBL14855844 0.67
SCHEMBL118070 0.67
SCHEMBL5491623 0.67
SCHEMBL15799735 0.63
SCHEMBL8724662 0.63
SCHEMBL8598277 0.63

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
US-20160303243-A1 ANIONIC CONJUGATES OF GLYCOSYLATED BACTERIAL METABOLITE GLYCAN BIOSCIENCES LLC (US) 2016-10-20 US disclosed
US-9346845-B2 Anionic conjugates of glycosylated bacterial metabolite GLYCAN BIOSCIENCES LLC (US) 2016-05-24 US disclosed
US-20140323422-A1 Anionic Conjugates of Glycosylated Bacterial Metabolite Glycosynnovations Pty Ltd (AU) 2014-10-30 US disclosed
US-8791245-B2 Anionic conjugates of glycosylated bacterial metabolite Glycan Bioscience LLC (US) 2014-07-29 US disclosed
US-20110190233-A1 ANIONIC CONJUGATES OF GLYCOSYLATED BACTERIAL METABOLITE GLYCAN BIOSCIENCES PTY LTD (AU) 2011-08-04 US disclosed
US-6908884-B2 Benzazolonylcarbonylcyclohexenones and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2005-06-21 US disclosed
US-20040063584-A1 Benzazolonylcarbonylcyclohexenones and their use ss herbicides BASF AKTIENGESELLSCHAFT (DE) 2004-04-01 US disclosed
US-20040033899-A1 5[(pyrazol-4-yl)carbonyl]benzazolone as herbicide BASF AKTIENGESELLSCHAFT (DE) 2004-02-19 US disclosed
US-6589915-B1 The invention relates to cyclohexenone derivatives of benzo-condensed, unsaturated 5-ring nitrogen heterocycles of general formula (I) wherein X represents N or a group C-R3, Y represents O, S, SO, SO2 or NR4 or X-Y represent S BASF AKTIENGESELLSCHAFT (DE) 2003-07-08 US disclosed
US-6541423-B1 Controlling vegatation BASF AKTIENGESELLSCHAFT (DE) 2003-04-01 US disclosed
US-6352959-B1 HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-03-05 US disclosed
EP-0609058-B1 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 1998-12-09 EP disclosed
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US disclosed
EP-0609058-A2 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1994-08-03 EP disclosed