SCHEMBL4585601

SCHEMBL4585601

O=COC1=CCC=CC1

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
SCHEMBL826191 0.82
SCHEMBL3015822 0.70
SCHEMBL11547510 0.70 KDM4E (0.32)
SCHEMBL262148 0.67
SCHEMBL11794825 0.67
SCHEMBL11791435 0.65
SCHEMBL6444775 0.65
SCHEMBL11547514 0.65 HCAR2 (0.35)
SCHEMBL11547512 0.65 HCAR2 (0.35)
SCHEMBL11045053 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210299285-A1 COMPOUNDS USEFUL FOR IN VIVO IMAGING OF PROTEIN OXIDATION AND/OR CANCER TREATMENT UNIV WAKE FOREST HEALTH SCIENCES (US) 2021-09-30 US disclosed
WO-2020018613-A1 COMPOUNDS USEFUL FOR IN VIVO IMAGING OF PROTEIN OXIDATION AND/OR CANCER TREATMENT WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2020-01-23 WO disclosed
CN-104185618-B Tussol condensation polymer 洛许大学医学中心 2016-08-24 CN disclosed
CN-103502818-B Serine, the post translational modification parsing marking agent of threonine 创革医疗科技有限公司 2016-08-10 CN disclosed
CN-101743308-B Lipase variants for pharmaceutical use NOVOZYMES A/S (DK) 2015-09-16 CN disclosed
CN-101180267-B Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof OBSCHESTVO S OGRANICHENNOI OTV 2015-06-17 CN disclosed
CN-103502818-A Labeling agent for post-translational modification analysis of serine and threonine CELLSEED INC 2014-01-08 CN disclosed
CN-102300575-A Human Milk Permeate Compositions And Methods Of Making And Using Same 2011-12-28 CN disclosed
CN-102016064-A Nucleoside triphosphates with electroactive label bound to gamma phosphate HEINZ-BERNHARD KRAATZ 2011-04-13 CN disclosed
CN-101180267-A Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof OBSCHESTVO S OGRANICHENNOI OTV (RU) 2008-05-14 CN disclosed
EP-1620480-A4 VOC FREE LATEX COALESCENT SYSTEMS VOCFREE INC (US) 2008-04-23 EP disclosed
US-20070167545-A1 Voc free latex coalescent system VOCFREE, INC. 2007-07-19 US disclosed
EP-1620480-A1 VOC FREE LATEX COALESCENT SYSTEMS Vocfree, Inc. (US) 2006-02-01 EP disclosed
WO-2004090005-A1 VOC FREE LATEX COALESCENT SYSTEMS VOCFREE, INC. (US) 2004-10-21 WO disclosed
CN-1015155-B CATALYST COMPOSITION AND THE PROCESS FOR OLEFIN/CO-COPOLYMERIZATION SHELL INT RESEARCH (NL) 1991-12-25 CN disclosed
CN-87106786-A The method of carbon monoxide-olefin polymeric and alkene and CO-copolymerization 1988-04-13 CN disclosed