Isobutyramide

Isobutyramide

SCHEMBL9687358

CC(C)C(N)=O.CCO

nearest known ligand 0.00

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Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Isobutyramide. 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
Isobutyramide SCHEMBL10569453 0.97 TSHR (0.38)
Isobutyramide SCHEMBL7705026 0.89 TDP1 (0.53)
Isobutyramide SCHEMBL2043053 0.87 LMNA (0.35)
Isobutyramide SCHEMBL5469885 0.87 CA1 (0.44)
Isobutyramide SCHEMBL7033603 0.87 LMNA (0.35)
Isobutyramide SCHEMBL3323 0.86
Isobutyramide SCHEMBL11109750 0.86 LMNA (0.46)
Isobutyramide SCHEMBL10808105 0.84 CA1 (0.37)
Isobutyramide SCHEMBL18321221 0.82
Isobutyramide SCHEMBL22719097 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114195197-B Magnetic porous carbon compound and preparation method and application thereof 浙江工业大学 2024-03-26 CN claimed
US-9669048-B2 Stable pharmaceutical composition of 5-aza-2′-deoxycitidine FRESENIUS KABI ONCOLOGY LIMITED (IN) 2017-06-06 US claimed
CN-104611773-B A kind of decentralized casing spinneret arranged side by side and application thereof 上海理工大学 2017-01-04 CN claimed
US-11072741-B2 Optically anisotropic layer, method for producing the optically anisotropic layer, a laminate, polarizing plate, display device, liquid crystal compound, method for producing the liquid crystal compound, and carboxylic acid compound FUJIFILM CORPORATION (JP) 2021-07-27 US disclosed
CN-109879890-A A method of preparing thiophene oxime azoles cephalo 陕西修风生物科技有限公司 2019-06-14 CN disclosed
CN-109879889-A A kind of cefuroxime axetil tablet composition and preparation method thereof 陕西修风生物科技有限公司 2019-06-14 CN disclosed
US-20180346814-A1 OPTICALLY ANISOTROPIC LAYER, METHOD FOR PRODUCING THE OPTICALLY ANISOTROPIC LAYER, A LAMINATE, POLARIZING PLATE, DISPLAY DEVICE, LIQUID CRYSTAL COMPOUND, METHOD FOR PRODUCING THE LIQUID CRYSTAL COMPOUND, AND CARBOXYLIC ACID COMPOUND FUJIFILM CORPORATION (JP) 2018-12-06 US disclosed
US-10059877-B2 Optically anisotropic layer, method for producing the optically anisotropic layer, a laminate, polarizing plate, display device, liquid crystal compound, method for producing the liquid crystal compound, and carboxylic acid compound FUJIFILM CORPORATION (JP) 2018-08-28 US disclosed
US-20160108315-A1 OPTICALLY ANISOTROPIC LAYER, METHOD FOR PRODUCING THE OPTICALLY ANISOTROPIC LAYER, A LAMINATE, POLARIZING PLATE, DISPLAY DEVICE, LIQUID CRYSTAL COMPOUND, METHOD FOR PRODUCING THE LIQUID CRYSTAL COMPOUND, AND CARBOXYLIC ACID COMPOUND FUJIFILM CORPORATION (JP) 2016-04-21 US disclosed
EP-0270494-B1 Certain cycloalka- [b]-pyrazolo-[3,4-d]-pyridin-3-one derivatives CIBA-GEIGY AG (CH) 1992-08-19 EP disclosed
US-4713383-A ADENOSINE AND BENZODIAZEPINE ANTAGONISTS CIBA-GEIGY CORPORATION (US) 1987-12-15 US disclosed