Sodium Isobutyrate

Sodium Isobutyrate

SCHEMBL904378

CC(C)C(=O)[O-].[Na+]

nearest known ligand 0.00

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Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Sodium Isobutyrate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ 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
Water SCHEMBL29781157 0.96
Acetic Acid SCHEMBL4894489 0.93 CA1 (0.64)
Potassium Ion SCHEMBL11423204 0.93 CA4 (0.47)
SCHEMBL6512986 0.92 CA1 (0.43)
SCHEMBL3532262 0.92 CA1 (0.43)
SCHEMBL25268289 0.92 CA1 (0.43)
Silver SCHEMBL25782 0.92
SCHEMBL782854 0.92 CA1 (0.43)
SCHEMBL6546603 0.92 CA1 (0.43)
SCHEMBL4653802 0.92 CA1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121574911-A Use of isobutyrate in constructing heart failure cell model 中国医学科学院基础医学研究所 2026-02-27 CN claimed
US-20250230136-A1 METHOD FOR PRODUCING KETONES BAYER AKTIENGESELLSCHAFT (DE) 2025-07-17 US claimed
CN-120081741-A Synthesis method of 2, 4-trimethyl-1, 3-pentanediol monoisobutyrate 濮阳圣恺环保新材料科技股份有限公司 2025-06-03 CN claimed
CN-120026074-A Method for improving fermentation yield of fidaxomicin 博瑞生物医药泰兴市有限公司 2025-05-23 CN claimed
CN-119613386-A Ralset tilobal 1, 4-dioxane solvent compound and preparation method thereof 杭州科巢生物科技有限公司 2025-03-14 CN claimed
CN-116514693-B Preparation method of captopril intermediate D-3-acetylmercapto-2-methylpropionic acid 阜阳欣奕华制药科技有限公司 2025-01-28 CN claimed
CN-118891253-A Process for preparing ketones 拜耳公司 2024-11-01 CN claimed
CN-112540075-B Method and kit for detecting acid value of grease 月旭科技(上海)股份有限公司 2024-07-05 CN claimed
CN-115433083-B Production process of cetyl alcohol ester 润泰新材料股份有限公司 2024-05-28 CN claimed
CN-117225597-A Low-temperature-resistant composite collector for separating copper sulfide ore 北矿化学科技(沧州)有限公司 2023-12-15 CN claimed
US-20140114049-A1 PREPARATION METHOD OF MICAFUNGIN SODIUM SHANGHAI TECHWELL BIOPHARMACEUTICAL CO., LTD. (CN) 2014-04-24 US claimed
EP-2708533-A1 PREPARATION METHOD OF MICAFUNGIN SODIUM Shanghai Techwell Biopharmaceutical Co., Ltd (CN) 2014-03-19 EP claimed
EP-2436667-B1 A method to manufacture a mixture of aliphatic hydroxyesters, especially from isobutyric aldehyde POLITECHNIKA OPOLSKA (PL) 2013-07-31 EP claimed
CN-102127191-B Preparation method of graft copolymer for surface sizing JIANGSU FEYMER TECHNOLOGY CO LTD 2012-09-05 CN claimed
WO-2008090465-A2 PROCESS FOR SYNTHESIZING DESVENLAFAXINE FREE BASE AND SALTS OR SALVATES THEREOF MEDICHEM, S.A. (US) 2008-07-31 WO claimed
US-5821030-A DIRECT DIGITAL EXPOSURE; HIGH WRITING SPEED; ADHESION; ANTIFOGGING AGENTS; SHELF LIFE; USING A POLYCARBOXYLIC ACID IN THE PHOTOPOLYMERIZATION INITIATOR SYSTEM AND A BASIC COMPOUND IN THE OXYGEN BARRIER LAYER KODAK POLYCHROME GRAPHICS (US) 1998-10-13 US claimed
US-5180847-A Processes for preparing 2,2,4-trimethyl-1,3-pentanediol derivatives BASF CORPORATION (US) 1993-01-19 US claimed
US-4371703-A Process for the production of isosorbide-5-nitrate HEINRICH MACK NACHF. CHEM-PARM. FABRIK (DE) 1983-02-01 US claimed
US-4192820-A Preparation of 3-methyl-2-buten-1-al BASF AKTIENGESELLSCHAFT (DE) 1980-03-11 US claimed
US-4104141-A Electrochemical oxidation of alkoxy-substituted aromatic compounds UOP INC. (US) 1978-08-01 US claimed