Methyl Isobutyl Ketone

Methyl Isobutyl Ketone

SCHEMBL669154

CC(=O)CC(C)C.ClCCl

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.82
TDP1 Q9NUW8 2/20 0.82
CA2 P00918 1/20 0.43
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.33
TRPA1 O75762 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
TSHR P16473 1/20 0.33
KISS1R Q969F8 2/20 0.32

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
Methyl Isobutyl Ketone SCHEMBL1580340 0.91
Methyl Isobutyl Ketone SCHEMBL15458 0.91
Methyl Isobutyl Ketone SCHEMBL1128055 0.91 ALDH1A1 (1.00) ALDH1A1TDP1CA2CYP2C19SMN1; SMN2
Methyl Isobutyl Ketone SCHEMBL10486773 0.88 ALDH1A1 (0.82) ALDH1A1TDP1CA2CYP2C19SMN1; SMN2
Methyl Isobutyl Ketone SCHEMBL5712313 0.88 ALDH1A1 (0.82) ALDH1A1TDP1CA2CYP2C19SMN1; SMN2
Methyl Isobutyl Ketone SCHEMBL7073455 0.88
Methyl Isobutyl Ketone SCHEMBL358566 0.88
Methyl Isobutyl Ketone SCHEMBL6387945 0.88
Methyl Isobutyl Ketone SCHEMBL2188913 0.88
Methyl Isobutyl Ketone SCHEMBL809423 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240176238-A1 SULFONIUM SALT, RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-05-30 US disclosed
CN-109956941-B Simple preparation method of abamectin 新发药业有限公司 2020-08-04 CN disclosed
CN-109956941-A A kind of simple and convenient process for preparing of AVM hereinafter Batan 新发药业有限公司 2019-07-02 CN disclosed
CN-108026055-A 2,4,6- tri-(2- hydroxy-3-methyl -4- alkoxyl phenyls)- 1,3,5- triaizine compounds and 2,4,6- tri-(2,4- dihydroxy -3- aminomethyl phenyls)The manufacture method of -1,3,5- triazines 株式会社钟化 2018-05-11 CN disclosed
CN-107428672-A The mixture and its manufacture method of polymerizable compound 日本瑞翁株式会社 2017-12-01 CN disclosed
CN-105492499-B Polyarylene sulfide resin, process for producing the same, and molded article DIC株式会社 2017-08-08 CN disclosed
US-20140187473-A1 Compositions and Methods for Minimally-Invasive Systemic Delivery of Proteins Including TGF-Beta Superfamily Members STRYKER CORPORATION (US) 2014-07-03 US disclosed
US-8535869-B2 Sulfonium salt, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-09-17 US disclosed
US-20120045724-A1 SULFONIUM SALT, RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-02-23 US disclosed
EP-0601288-B1 Substituted 2,3-dicarboxypyridinium nitrates BASF AG (DE) 2003-05-02 EP disclosed
US-5410062-A Heating substituted quinoline with nitric acid in presence of manganese catalyst, concentrating in presence of nitroaromatic solvent AMERICAN CYANAMID COMPANY (US) 1995-04-25 US disclosed
EP-0601288-A2 Substituted 2,3-dicarboxypyridinium nitrates AMERICAN CYANAMID COMPANY (US) 1994-06-15 EP disclosed
US-5284955-A Herbicide intermediates AMERICAN CYANAMID COMPANY (US) 1994-02-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240176238-A1 SULFONIUM SALT, RESIST COMPOSITION AND PATTERN FORMING PROCESS SLC6A5, HNRNPU, SLC6A9 ALDH1A1 4876/4885TDP1 3161/4885CA2 18/4885
US-20120045724-A1 SULFONIUM SALT, RESIST COMPOSITION, AND PATTERNING PROCESS SLC6A5, NES, STS ALDH1A1 3412/4885TDP1 3654/4885CA2 770/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.