Acetone

Acetone

SCHEMBL5567209

CC(C)=O.O=C[C@H](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 SCHEMBL1711073 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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105801518-B A kind of synthetic method of (S) -1-Boc-3- hydroxy piperidine 重庆博腾制药科技股份有限公司 2018-11-27 CN claimed
CN-105801518-A (S)-1-Boc-3-hydroxypiperidine synthesis method 重庆博腾制药科技股份有限公司 2016-07-27 CN claimed
CN-104829584-A Synthesis method of (R)-glyceraldehyde acetonide compound JIANGSU FURUI BIOPHARMACEUTICAL CO LTD 2015-08-12 CN claimed
CN-118272334-A Carbonyl reductase mutant and application thereof in synthesis of (R) -N-Boc-3-hydroxy piperidine 西南大学 2024-07-02 CN disclosed
CN-108289931-B 4' -substituted nucleoside reverse transcriptase inhibitors and preparation thereof 默沙东公司 2022-10-11 CN disclosed
US-20210154221-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS AND PREPARATIONS THEREOF MERCK SHARP & DOHME CORP. (US) 2021-05-27 US disclosed
US-11008358-B2 Synthesis of desosamines PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-05-18 US disclosed
US-10953029-B2 4′-Substituted nucleoside reverse transcriptase inhibitors and preparations thereof MERCK SHARP & DOHME CORP. (US) 2021-03-23 US disclosed
EP-3352781-B1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS AND PREPARATIONS THEREOF MERCK SHARP & DOHME (US) 2020-12-16 EP disclosed
CN-109641930-B Preparation method of 2-fluoro-2-methyl deoxynucleoside serving as sofosbuvir intermediate 正大天晴药业集团股份有限公司 2020-12-04 CN disclosed
US-20200347087-A1 SYNTHESIS OF DESOSAMINES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-11-05 US disclosed
EP-0506235-A1 Glyceraldehyde-3-pentanide and process for producing same ELI LILLY AND COMPANY (US) 1992-09-30 EP disclosed
US-5051506-A Compounds for electrooptical displays DISPLAYTECH, INC. (US) 1991-09-24 US disclosed
EP-0219505-B1 STEREOSELECTIVE PROCESS AND CHIRAL INTERMEDIATES FOR ARYLOXYDROPANOLAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-02-01 EP disclosed
EP-0219505-A1 STEREOSELECTIVE PROCESS AND CHIRAL INTERMEDIATES FOR ARYLOXYDROPANOLAMINES. SMITH KLINE FRENCH LAB (GB) 1987-04-29 EP disclosed
US-4652563-A PYRIDAZINONES SUBSTITUTED WITH CYCLOPROPYLMETHOXYETHYL GROUP SMITH KLINE & FRENCH LABORATORIES LTD. (GB) 1987-03-24 US disclosed
WO-1986006368-A1 STEREOSELECTIVE PROCESS AND CHIRAL INTERMEDIATES FOR ARYLOXYDROPANOLAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-11-06 WO disclosed
EP-0168921-A2 Chemical compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-01-22 EP disclosed
US-4413142-A MULTISTAGE, D-MANNITOL, KETONE ANIC S.P.A. (IT) 1983-11-01 US disclosed
EP-0060595-A2 Method for preparing L-carnitine ANIC S.p.A. (IT) 1982-09-22 EP 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 (4 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-20210154221-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS AND PREPARATIONS THEREOF HPRT1, SAMHD1, DUT AKR1B1 211/4885OR51E2 4203/4885TDP1 310/4885
US-11008358-B2 Synthesis of desosamines NANS, GALE, FUT6 AKR1B1 129/4885OR51E2 4467/4885TDP1 2664/4885
US-20200347087-A1 SYNTHESIS OF DESOSAMINES NANS, GALE, FUT6 AKR1B1 129/4885OR51E2 4467/4885TDP1 2664/4885
US-10953029-B2 4′-Substituted nucleoside reverse transcriptase inhibitors and preparations thereof DUT, HPRT1, SAMHD1 AKR1B1 241/4885OR51E2 4204/4885TDP1 320/4885

“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.