Acetone

Acetone

SCHEMBL1711073

CC(C)=O.O=CC(O)CO

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.78
OR51E2 Q9H255 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PAX8 Q06710 1/20 0.33
GAPDH P04406 1/20 0.32
FFAR3 O14843 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 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
Acetone SCHEMBL5567209 1.00 AKR1B1 (0.78) AKR1B1OR51E2TDP1LMNAALDH1A1
Acetone SCHEMBL28376337 1.00 AKR1B1 (0.78) AKR1B1OR51E2TDP1LMNAALDH1A1
Acetone SCHEMBL9466071 1.00 AKR1B1 (0.78) AKR1B1OR51E2TDP1LMNAALDH1A1
Acetone SCHEMBL2871076 1.00 AKR1B1 (0.78) AKR1B1OR51E2TDP1LMNAALDH1A1
Acetone SCHEMBL27957990 0.93 AKR1B1 (0.67) AKR1B1PAX8
SCHEMBL8440817 0.90 AKR1B1 (0.70) AKR1B1OR51E2TDP1ALDH1A1PAX8
Mannitol SCHEMBL10506495 0.89 AKR1B1 (0.61) AKR1B1TDP1LMNAPAX8
SCHEMBL19505 0.88
SCHEMBL2121317 0.88
SCHEMBL22045 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 186 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108752309-B Method for synthesizing glyceraldehyde acetonide through catalytic oxidation 扬州工业职业技术学院 2020-03-31 CN claimed
CN-106632282-B The fluorine-containing amides compound of 1,3- dimethyl -7- substituted quinazoline -2,4- diketone and its synthetic method and application 重庆智合生物医药有限公司 2019-09-20 CN claimed
CN-109748893-A A method of gemcitabine intermediate is prepared using chiral catalyst 江苏八巨药业有限公司 2019-05-14 CN claimed
CN-109298122-A A kind of detection method of R- glyceraldehyde acetonide finished product purity 上海康鹏科技有限公司 2019-02-01 CN claimed
CN-108752309-A A kind of method of catalysis oxidation synthetic glycerine aldehyde contracting acetone 扬州工业职业技术学院 2018-11-06 CN claimed
CN-106632282-A 1,3-dimethyl-7-substituted quinazoline-2,4-dione fluorine-containing amide compound and synthesizing method and application thereof 重庆智合生物医药有限公司 2017-05-10 CN claimed
CN-105566406-A Preparation method of fluorodesoxyribofuranose JIANGXI SHENGFU CHEMICAL CO LTD 2016-05-11 CN claimed
CN-104788419-A Chiral (2, 2-dimethyl-1, 3-dioxolane-4-yl) hydroxymethanesulfonate, and preparation method and application thereof UNIV XIHUA 2015-07-22 CN claimed
US-20140031562-A1 Method for Forming Allylic Alcohols THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOI (US) 2014-01-30 US claimed
CN-102311418-B Preparation method for benzodihydropyran compound CHENGDU KANGHONG PHARMACEUTICALS GROUP CO LTD 2013-12-25 CN claimed
CN-102311418-A Preparation method for benzodihydropyran compound CHENGDU KANGHONG PHARMACEUTICALS GROUP CO LTD 2012-01-11 CN claimed
WO-2010025366-A2 METHOD FOR FORMING ALLYLIC ALCOHOLS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-03-04 WO claimed
EP-1678158-B1 PROCESS FOR THE PREPARATION OF GLYCERALDEHYDE ACETONIDE DSM IP ASSETS BV (NL) 2008-03-26 EP claimed
US-20070129553-A1 Process for the preparation of glyceraldehyde acetonide DSM IP ASSETS B.V. (NL) 2007-06-07 US claimed
EP-1678158-A1 PROCESS FOR THE PREPARATION OF GLYCERALDEHYDE ACETONIDE DSM IP Assets B.V. (NL) 2006-07-12 EP claimed
EP-1673364-A1 PROCESS FOR THE PREPARATION OF (S)-GLYCERALDEHYDE ACETONIDE DSM IP Assets B.V. (NL) 2006-06-28 EP claimed
WO-2005040149-A1 PROCESS FOR THE PREPARATION OF GLYCERALDEHYDE ACETONIDE DSM IP ASSETS B.V. (NL) 2005-05-06 WO claimed
WO-2005037819-A1 PROCESS FOR THE PREPARATION OF (S)-GLYCERALDEHYDE ACETONIDE DSM IP ASSETS B.V. (NL) 2005-04-28 WO claimed
US-4413142-A MULTISTAGE, D-MANNITOL, KETONE ANIC S.P.A. (IT) 1983-11-01 US claimed
EP-0060595-A2 Method for preparing L-carnitine ANIC S.p.A. (IT) 1982-09-22 EP claimed

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-20140031562-A1 Method for Forming Allylic Alcohols ADH1A, ADH1C, ADH5 AKR1B1 59/4885OR51E2 534/4885TDP1 2911/4885
US-20070129553-A1 Process for the preparation of glyceraldehyde acetonide CA5A, GCG, CA5B AKR1B1 70/4885OR51E2 1422/4885TDP1 1519/4885

“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.