SCHEMBL133684

SCHEMBL133684

CCC(=O)C(C)[C]=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
SCHEMBL7911466 0.79
SCHEMBL29124840 0.77
SCHEMBL825523 0.76
SCHEMBL4819384 0.74
SCHEMBL1819319 0.73
SCHEMBL105913 0.73
SCHEMBL1820421 0.73
SCHEMBL10586742 0.72
SCHEMBL6364345 0.72
SCHEMBL9982830 0.72 ALDH1A1 (0.48)

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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9921498-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2018-03-20 US disclosed
US-20160377998-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2016-12-29 US disclosed
US-9227940-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-05 US disclosed
US-20150065343-A1 Acrylamide compounds for combating invertebrate pests BASF SE (DE) 2015-03-05 US disclosed
US-20150005342-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-01-01 US disclosed
US-8889871-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-11-18 US disclosed
US-8859209-B2 Reimmunization and antibody design CARVIAR APS (DK) 2014-10-14 US disclosed
US-8772313-B2 Benzenesulfonyl or sulfonamide compounds suitable for treating disorders that respond to the modulation of the serotonin 5-HT6 receptor ABBOTT LABORATORIES (US) 2014-07-08 US disclosed
US-8507722-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-13 US disclosed
US-20120330019-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-12-27 US disclosed
US-5925762-A REACTING PRIMARY PHENYL CARBAMATE OR THIOCARBAMATE WITH AMMONIA, A PRIMARY OR SECONDARY AMINE IN DIMETHYLSULFOXIDE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1999-07-20 US disclosed
EP-0871619-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1998-10-21 EP disclosed
WO-1997024343-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1997-07-10 WO disclosed
US-5476841-A Inhibitors of herpes viral ribonucleotide reductase BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1995-12-19 US disclosed
EP-0618226-A1 Inhibitors of herpes viral ribonculeotide reductase BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-10-05 EP disclosed
WO-1994020528-A1 INHIBITORS OF HERPES VIRAL RIBONUCLEOTIDE REDUCTASE BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-09-15 WO disclosed
US-4561451-A 1,4-Diacylpiperazine flavored smoking compositions PHILIP MORRIS INCORPORATED (US) 1985-12-31 US disclosed
EP-0116640-A4 1,4-DIACYLPIPERAZINE FLAVORED SMOKING COMPOSITIONS. PHILIP MORRIS INC (US) 1984-12-11 EP disclosed
EP-0116640-A1 1,4-DIACYLPIPERAZINE FLAVORED SMOKING COMPOSITIONS PHILIP MORRIS INCORPORATED (US) 1984-08-29 EP disclosed
WO-1984000672-A1 1,4-DIACYLPIPERAZINE FLAVORED SMOKING COMPOSITIONS PHILIP MORRIS INC (US) 1984-03-01 WO disclosed