SCHEMBL8552453

SCHEMBL8552453

CC(C)C(=O)CCC(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
SCHEMBL14410296 0.85 LTA4H (0.31)
SCHEMBL8898874 0.83 CES2 (0.34)
SCHEMBL21077943 0.80
SCHEMBL10308342 0.78 CYP1A2 (0.41)
SCHEMBL10308596 0.78 GAA (0.32)
SCHEMBL19913412 0.78 ACACB (0.44)
SCHEMBL25876493 0.78
SCHEMBL23710689 0.77 CES2 (0.46)
SCHEMBL6988844 0.77 HTT (0.30)
SCHEMBL13921055 0.77 SLC7A5 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0866788-A1 1,3-OXAZIN-4-ONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1998-09-30 EP claimed
WO-1997021688-A1 1,3-OXAZIN-4-ONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-06-19 WO claimed
US-20230372536-A1 NANOMATERIAL AND METHODS OF USE THEREOF UNIVERSITY OF CONNECTICUT 2023-11-23 US disclosed
US-11732005-B2 Peptidomimetic proteasome inhibitors CORNELL UNIVERSITY (US) 2023-08-22 US disclosed
US-20230144824-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-05-11 US disclosed
US-20230008433-A1 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. 2023-01-12 US disclosed
US-10023613-B2 Peptidomimetic macrocycles as modulators of MCL-1 AILERON THERAPEUTICS, INC. (US) 2018-07-17 US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20170226177-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-08-10 US disclosed
US-20170107252-A1 PEPTIDOMIMETIC MACROCYCLES AS MODULATORS OF MCL-1 AILERON THERAPEUTICS, INC. 2017-04-20 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 US disclosed
US-20140249316-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES SYNGENTA CROP PROTECTION LLC (US) 2014-09-04 US disclosed
US-20140235533-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-08-21 US disclosed
US-8754053-B2 Isoxazoline derivatives as insecticides SYNGENTA CROP PROTECTION LLC (US) 2014-06-17 US disclosed
US-20130237583-A1 PROCESS FOR THE PREPARATION OF DIHYDROPYRROLE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-09-12 US disclosed
US-20130183269-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 US disclosed
US-20130129622-A1 CYCLOPENTAPEPTIDE DERIVATIVES AND USES THEREOF Technische Universität München (DE) 2013-05-23 US disclosed
US-20130123169-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2013-05-16 US disclosed
US-20120316124-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-12-13 US disclosed