SCHEMBL4912841

SCHEMBL4912841

CC(=S)OCCC1C=COC1=O

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
SCHEMBL2227804 0.67
SCHEMBL15380682 0.60 CA12 (0.33)
SCHEMBL4819975 0.59
SCHEMBL31587885 0.57 POLB (0.34)
SCHEMBL20072350 0.57 HTR2A (0.41)
SCHEMBL11109820 0.57
SCHEMBL2443161 0.56
SCHEMBL27525356 0.56 CA12 (0.46)
SCHEMBL27431726 0.56 CA12 (0.40)
SCHEMBL1856117 0.55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167373-A1 Production of Furanones UNISEARCH LIMITED, A.C.N. (AU) 2008-07-10 US disclosed
US-7378535-B2 intermediate for side chain functionalization of fimbrolides (halogenated 3-alkyl-5-methylene-2(5H)-furanones); 4-Bromo-5(bromomethylene)-3-(1-bromoethyl)-2(5H)-furanone from N-bromosuccinimide the 3-ethylfuranone UNISEARCH LIMITED, A.C.N. (AU) 2008-05-27 US disclosed
EP-1787988-A2 Production of furanones Biosignal Australia Pty Limited (AU) 2007-05-23 EP disclosed
US-20070032666-A1 Production of furanones UNISEARCH LIMITED, A.C.N. (AU) 2007-02-08 US disclosed
EP-1071677-B1 PRODUCTION OF FURANONES BIOSIGNAL AUSTRALIA PTY LTD (AU) 2007-02-07 EP disclosed
US-7064220-B1 Production of furanones UNISEARCH LIMITED, A.C.N. (AU) 2006-06-20 US disclosed
EP-1071677-A4 PRODUCTION OF FURANONES UNISEARCH LTD (AU) 2003-04-02 EP disclosed
EP-1071677-A1 PRODUCTION OF FURANONES UNISEARCH LIMITED (AU) 2001-01-31 EP disclosed
WO-1999054323-A1 PRODUCTION OF FURANONES UNISEARCH LIMITED (AU) 1999-10-28 WO disclosed