Butanone

Butanone

SCHEMBL1576889

CCC(C)=O.CCC(C)O

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.62
ALDH1A1 P00352 4/20 0.62
TSHR P16473 2/20 0.62
FFAR3 O14843 1/20 0.37
TP53 P04637 1/20 0.35
TRPA1 O75762 1/20 0.35

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
Butanol SCHEMBL25345835 0.87
Butanone SCHEMBL457538 0.87
Butanol SCHEMBL5317804 0.87 TSHR (0.71) TDP1ALDH1A1TSHRFFAR3TP53
Propylene Glycol SCHEMBL5804824 0.85 TDP1 (0.59) TDP1ALDH1A1TSHRFFAR3TP53
Butanol SCHEMBL28220171 0.85 TSHR (0.59) TDP1ALDH1A1TSHRTP53TRPA1
Butanol SCHEMBL1028571 0.84
Butanol SCHEMBL21435673 0.84 TSHR (0.67) TDP1ALDH1A1TSHRFFAR3TP53
Butanone SCHEMBL17201869 0.84 ALDH1A1 (0.67) TDP1ALDH1A1TSHRFFAR3TP53
Butanone SCHEMBL2458814 0.84 ALDH1A1 (0.67) TDP1ALDH1A1TSHRFFAR3TP53
Butanone SCHEMBL19681448 0.84 ALDH1A1 (0.67) TDP1ALDH1A1TSHRFFAR3TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180282339-A1 PROCESS FOR THE PREPARATION OF THE AMORPHOUS FORM OF IBRUTINIB AND NOVEL CRYSTALLINE FORM OLON SPA (IT) 2018-10-04 US claimed
EP-3377498-A1 PROCESS FOR THE PREPARATION OF THE AMORPHOUS FORM OF IBRUTINIB AND NOVEL CRYSTALLINE FORM OLON S.p.A. (IT) 2018-09-26 EP claimed
CN-202175634-U System for improving separating precision of methyl ethyl ketone sec-butyl alcohol rectifying tower DAQING ZHONGLAN PETROCHEMICAL CO LTD 2012-03-28 CN claimed
US-6562311-B1 Oxidation of ammonia with hydrogen peroxide; reaction with methyl ethyl ketone to form azine; hydrolysis; recycling ketone obtained from dehydrogenating 2-butanol by product and from hydrolysis ATOFINA (FR) 2003-05-13 US claimed
US-11008593-B2 Process for producing 1,3-propanediol compound Photanol, B.V. 2021-05-18 US disclosed
CN-112321853-A Crystallinity-controllable starch nanoparticle, preparation method and application 广西民族大学 2021-02-05 CN disclosed
US-20190345523-A1 PROCESS OF PRODUCING AN ORGANIC COMPOUND AND AN INTERMEDIARY COMPOUND UNIVERSITEIT VAN AMSTERDAM (NL) 2019-11-14 US disclosed
US-20190177752-A1 Process for Producing an Organic Compound PHOTANOL BV. (NL) 2019-06-13 US disclosed
CN-105274041-B One plant of recombination bacillus coli and its application in production 2- butanol 山东大学 2019-04-16 CN disclosed
CN-208604042-U Separate the device of sec-butyl alcohol and methyl ethyl ketone 淄博齐翔腾达化工股份有限公司 2019-03-15 CN disclosed
US-10131924-B2 Process for producing an organic compound and an intermediary compound PHOTANOL B.V. (NL) 2018-11-20 US disclosed
US-20180282339-A1 PROCESS FOR THE PREPARATION OF THE AMORPHOUS FORM OF IBRUTINIB AND NOVEL CRYSTALLINE FORM OLON SPA (IT) 2018-10-04 US disclosed
CN-202175634-U System for improving separating precision of methyl ethyl ketone sec-butyl alcohol rectifying tower DAQING ZHONGLAN PETROCHEMICAL CO LTD 2012-03-28 CN disclosed
CN-202175634-U System for improving separating precision of methyl ethyl ketone sec-butyl alcohol rectifying tower DAQING ZHONGLAN PETROCHEMICAL CO LTD 2012-03-28 CN disclosed
US-20110212498-A1 LIGHT-DRIVEN CO2 REDUCTION TO ORGANIC COMPOUNDS TO SERVE AS FUELS OR AS INDUSTRIAL HALF PRODUCTS BY AN AUTOTROPH CONTAINING A FERMENTATIVE GENE CASSETTE UNIVERSITEIT VAN AMSTERDAM (NL) 2011-09-01 US disclosed
US-20110124060-A1 YEAST PRODUCTION HOST CELLS BUTAMAX(TM) ADVANCED BIOFUELS LLC (US) 2011-05-26 US disclosed
WO-2011041426-A1 IMPROVED YEAST PRODUCTION HOST CELLS BUTAMAX(TM) ADVANCED BIOFUELS LLC (US) 2011-04-07 WO disclosed
US-4959494-A Oxidation of organic compounds with pyrochlore catalysts MONSANTO COMPANY (US) 1990-09-25 US disclosed
US-4250121-A RUTHENIUM METAL CATALYST INSTITUT FRANCAIS DU PETROLE (FR) 1981-02-10 US disclosed
US-4224190-A INDIUM DISPERSED IN A CARRIER VILLADSEN JOHN 1980-09-23 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 (1 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-20180282339-A1 PROCESS FOR THE PREPARATION OF THE AMORPHOUS FORM OF IBRUTINIB AND NOVEL CRYSTALLINE FORM BTK, SYK, BCL6B TDP1 1657/4885ALDH1A1 3947/4885TSHR 3798/4885

“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.