SCHEMBL1690776

SCHEMBL1690776

CC(C)C(=O)O[C@H]1C(=O)N(O)C(=O)[C@@H]1OC(=O)C(C)C

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
SCHEMBL1690900 1.00
SCHEMBL3682344 0.77 POLB (0.35)
SCHEMBL2237730 0.76 POLB (0.43)
SCHEMBL1690997 0.72 ELANE (0.31)
SCHEMBL1690974 0.72 ELANE (0.31)
SCHEMBL1691038 0.69
SCHEMBL1691035 0.69
SCHEMBL1691565 0.69
SCHEMBL637338 0.67 LMNA (0.47)
SCHEMBL17426002 0.67 POLB (0.50)

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-9353057-B2 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XENOPORT, INC. (US) 2016-05-31 US disclosed
US-20130131355-A1 SYNTHESIS OF ACYLOXYALKYL CARBAMATE PRODRUGS AND INTERMEDIATES THEREOF XENOPORT, INC. (US) 2013-05-23 US disclosed
EP-1716115-B1 SYNTHESIS OF ACYLOXYALKYL CARBAMATE PRODRUGS AND INTERMEDIATES THEREOF XENOPORT INC (US) 2013-02-27 EP disclosed
US-8378137-B2 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XENOPORT, INC. (US) 2013-02-19 US disclosed
US-20120010425-A1 SYNTHESIS OF ACYLOXYALKYL CARBAMATE PRODRUGS AND INTERMEDIATES THEREOF XENOPORT, INC. (US) 2012-01-12 US disclosed
EP-2371815-A1 Sythesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XenoPort, Inc. (US) 2011-10-05 EP disclosed
US-8003809-B2 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XENOPORT, INC. (US) 2011-08-23 US disclosed
US-20090216037-A1 Synthesis of Acyloxyalkyl Carbamate Prodrugs and Intermediates Thereof XENOPORT, INC. (US) 2009-08-27 US disclosed
US-7511158-B2 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XENOPORT, INC. (US) 2009-03-31 US disclosed
US-20070244331-A1 Synthesis of Acyloxyalkyl Carbamate Prodrugs and Intermediates Thereof XENOPORT, INC. 2007-10-18 US disclosed
US-20070037988-A9 Formation of a thiocarbamate from a haloformic compound, dehalo-esterification, coupling an N-hydroxysuccinimide or secondary amide-containing drug; prodrugs of gabapentin and baclofen; improved bioavailability XENOPORT, INC. 2007-02-15 US disclosed
EP-1716115-A2 SYNTHESIS OF ACYLOXYALKYL CARBAMATE PRODRUGS AND INTERMEDIATES THEREOF Xenoport, Inc. (US) 2006-11-02 EP disclosed
US-20050222431-A1 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XENOPORT, INC. 2005-10-06 US disclosed
WO-2005066122-A2 SYNTHESIS OF ACYLOXYALKYL CARBAMATE PRODRUGS AND INTERMEDIATES THEREOF XENOPORT, INC. (US) 2005-07-21 WO disclosed