2-Oxoisohexanoate

2-Oxoisohexanoate

SCHEMBL4364799

CC(C)CC(=O)C(=O)O.[CaH2]

nearest known ligand 0.94

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.50
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
OR51E2 Q9H255 2/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
CA1 P00915 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.35
SLC13A3 Q8WWT9 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
RNPEP Q9H4A4 1/20 0.35
SLC7A5 Q01650 1/20 0.35
CACNB3 P54284 1/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNA1C Q13936 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
2-Oxoisohexanoate SCHEMBL18302256 0.97 CA2 (0.52) CA2ALDH1A1TDP1OR51E2MMP1
2-Oxoisohexanoate SCHEMBL43491 0.97
2-Oxoisohexanoate SCHEMBL6845538 0.94 CA2 (0.50) CA2ALDH1A1TDP1OR51E2MMP1
2-Oxoisohexanoate SCHEMBL2224962 0.94 CA2 (0.50) CA2ALDH1A1TDP1OR51E2MMP1
2-Oxoisohexanoate SCHEMBL7278860 0.94 CA2 (0.50) CA2ALDH1A1TDP1OR51E2MMP1
2-Oxoisohexanoate SCHEMBL5160502 0.92 CA2 (0.48) CA2ALDH1A1TDP1OR51E2MMP1
2-Oxoisohexanoate SCHEMBL28052970 0.89 ALDH1A1 (0.50) CA2ALDH1A1TDP1OR51E2MMP1
2-Oxoisohexanoate SCHEMBL31717986 0.87 CA2 (0.44) CA2ALDH1A1TDP1OR51E2MMP1
2-Oxoisohexanoate SCHEMBL5606890 0.85 SLC7A5 (0.44) CA2ALDH1A1TDP1MMP1MMP2
2-Oxoisohexanoate SCHEMBL5606991 0.85 OR51E2 (0.48) CA2ALDH1A1TDP1OR51E2MAPK1

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
WO-2020244798-A1 METHOD FOR TASTE/ODOR MASKING OF A PRODUCT FOR CHRONIC KIDNEY DISEASE PATIENTS ATHENION AG (CH) 2020-12-10 WO claimed
WO-2012137216-A1 A NOVEL PHARMACEUTICAL FORMULATION OF ALPHA KETOANALOGUE OF AMINO ACIDS AND ADDITIONAL AMINO ACIDS FOR TREATMENT OF CHRONIC KIDNEY DISEASE AND METHOD OF PREPARATION THEREOF RPG LIFE SCIENCES LIMITED (IN) 2012-10-11 WO claimed
US-5500668-A INK JET PRINTING XEROX CORPORATION (US) 1996-03-19 US claimed
CN-114409602-B Method for synthesizing alpha-keto acid by using oxalyl chloride and Grignard reagent as raw materials 武汉大学 2024-01-30 CN disclosed
CN-117384874-A Method for efficiently preparing alpha-ketoisocaproic acid by utilizing microorganisms 江南大学 2024-01-12 CN disclosed
CN-114409602-A Method for synthesizing alpha-keto acid by using oxalyl chloride and Grignard reagent as raw materials 武汉大学 2022-04-29 CN disclosed
WO-2020244798-A1 METHOD FOR TASTE/ODOR MASKING OF A PRODUCT FOR CHRONIC KIDNEY DISEASE PATIENTS ATHENION AG (CH) 2020-12-10 WO disclosed
CN-109820787-A A kind of composition of the anti-sensitivity of tooth containing calcium salt 吕天宽 2019-05-31 CN disclosed
CN-109820740-A A kind of composition of the anti-sensitivity of tooth containing calcium salt and its application 吕天宽 2019-05-31 CN disclosed
CN-105316257-B A method of it solving xylose lysine bacillus and its prepares 2-ketoacid 重庆邮电大学 2018-10-12 CN disclosed
CN-105316257-A lysinibacillus xylanilyticus and method for preparing alpha-ketoacid with same UNIV CHONGQING POSTS & TELECOM 2016-02-10 CN disclosed
EP-1754415-A1 Supplemental dietary composition for enhancing muscle performance and/or recovery from fatigue Gakic Formulations Ltd. (CA) 2007-02-21 EP disclosed
US-6350795-B1 ACOUSTIC PHASE-CHANGE CONDUCTIVE INK CONTAINING LOW MOLECULAR WEIGHT OXYALKYLENE SEGMENTS COMPLEXED WITH UREA DERIVATIVES XEROX CORPORATION 2002-02-26 US disclosed
US-6171702-B1 Coated substrates XEROX CORPORATION 2001-01-09 US disclosed
US-6100287-A Materials and methods for enhancing muscle performance and recovery from fatigue UNIVERSITY OF FLORIDA (US) 2000-08-08 US disclosed
US-6100287-A Materials and methods for enhancing muscle performance and recovery from fatigue UNIVERSITY OF FLORIDA (US) 2000-08-08 US disclosed
US-6096125-A Ink compositions XEROX CORPORATION (US) 2000-08-01 US disclosed
WO-1999025331-A1 USE OF KETOACIDS TOGETHER WITH AMINO ACIDS FOR ENHANCING MUSCLE PERFORMANCE AND RECOVERY FROM FATIGUE UNIVERSITY OF FLORIDA (US) 1999-05-27 WO disclosed
WO-1999025331-A1 USE OF KETOACIDS TOGETHER WITH AMINO ACIDS FOR ENHANCING MUSCLE PERFORMANCE AND RECOVERY FROM FATIGUE UNIVERSITY OF FLORIDA (US) 1999-05-27 WO disclosed
US-5500668-A INK JET PRINTING XEROX CORPORATION (US) 1996-03-19 US disclosed