SCHEMBL7602835

SCHEMBL7602835

CC(C)C(C=O)C(=O)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
SCHEMBL1046005 0.82
SCHEMBL60300 0.81 ALDH1A1 (0.35)
SCHEMBL6899896 0.79 TP53 (0.42)
SCHEMBL6899891 0.79 TP53 (0.42)
SCHEMBL27794028 0.78
SCHEMBL16205865 0.78 SLC7A5 (0.31)
SCHEMBL10406375 0.77
SCHEMBL8003127 0.74
SCHEMBL1978296 0.74
SCHEMBL27625673 0.74 ALDH1A1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103635577-B Microbial synthesis of aldehydes and corresponding alcohols 伊塞尔生物技术有限责任公司 2017-04-12 CN claimed
CN-105722990-A Fermentation process 朗泽科技新西兰有限公司 2016-06-29 CN claimed
CN-103635577-A Microbial synthesis of aldehydes and corresponding alcohols EASEL BIOTECHNOLOGIES LLC 2014-03-12 CN claimed
CN-118450907-A Antibody drug conjugates 百济神州有限公司 2024-08-06 CN disclosed
CN-106148259-B Produce the recombinant bacterium and the preparation method and application thereof of C4H9NO2 中国科学院微生物研究所 2019-09-10 CN disclosed
CN-109696503-A The detection method and its application of metabolin in a kind of plant leaf blade 中国农业科学院作物科学研究所 2019-04-30 CN disclosed
CN-108473484-A Compounds useful as TRPM8 modulators 赛诺米克斯公司 2018-08-31 CN disclosed
CN-103635577-B Microbial synthesis of aldehydes and corresponding alcohols 伊塞尔生物技术有限责任公司 2017-04-12 CN disclosed
CN-106148259-A Produce recombinant bacterium of C4H9NO2 and preparation method and application 中国科学院微生物研究所 2016-11-23 CN disclosed
CN-103140458-B The combined method of alkene is manufactured by isobutanol 道达尔研究技术弗吕公司 2016-10-12 CN disclosed
CN-103314101-B The bio-fuel of the recombinant microorganism fermenting by protein biomass and chemical production THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-05-18 CN disclosed
CN-104736714-A Cell-free minimal metabolic reaction cascade for the production of chemicals CLARIANT PRODUKTE DEUTSCHLAND 2015-06-24 CN disclosed
CN-103635577-A Microbial synthesis of aldehydes and corresponding alcohols EASEL BIOTECHNOLOGIES LLC 2014-03-12 CN disclosed
CN-103314101-A Biofuel and chemical production by recombinant microorganisms via fermentation of proteinacious biomass UNIV CALIFORNIA 2013-09-18 CN disclosed
CN-103140584-A Recombinant host cells comprising phosphoketolases BUTAMAX TM ADVANCED BIOFUELS 2013-06-05 CN disclosed
CN-102985083-A Formulations of quinones for the treatment of ophthalmic diseases EDISON PHARMACEUTICALS INC 2013-03-20 CN disclosed
CN-102741401-A Expression of hexose kinase in recombinant host cells BUTAMAX ADVANCED BIOFUELS LLC 2012-10-17 CN disclosed
CN-1377266-A Pyruvate ester composition and method of use for resuscitation after events of ischemia and reperfusion MASSTRACE INC (CA) 2002-10-30 CN disclosed
US-20020094989-A1 Pyrrolidine modulators of CCR5 chemokine receptor activity HALE JEFFREY J (US) 2002-07-18 US disclosed
CN-87106076-A Hydantoin derivative and be the weedicide of effective ingredient with this derivative 1988-08-31 CN disclosed