⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28373691 | 0.85 | ALDH1A1 (0.39) | — | |
| SCHEMBL2414701 | 0.79 | HDAC1 (0.43) | — | |
| SCHEMBL9770799 | 0.76 | CES2 (0.33) | — | |
| SCHEMBL9816257 | 0.76 | CES2 (0.38) | — | |
| SCHEMBL1366068 | 0.74 | — | — | |
| SCHEMBL810832 | 0.73 | — | — | |
| SCHEMBL27811310 | 0.72 | — | — | |
| SCHEMBL11124915 | 0.72 | LDHA (0.42) | — | |
| SCHEMBL3782518 | 0.72 | SOAT1 (0.44) | — | |
| SCHEMBL736773 | 0.72 | CA1 (0.38) | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1174415-B1 | High purity preparation of fluorinated 1,3-dicarbonyls using BDM (bis-fluoroxydifluoromethane) | AIR PROD & CHEM (US) | 2003-10-22 | — | — | EP | claimed |
| CN-110903194-B | Method for continuously preparing voriconazole intermediate ethyl 2-fluoro-3-oxopentanoate | 南京恒道医药科技有限公司 | 2022-02-25 | — | — | CN | disclosed |
| CN-110903194-B | Method for continuously preparing voriconazole intermediate ethyl 2-fluoro-3-oxopentanoate | 南京恒道医药科技有限公司 | 2022-02-25 | — | — | CN | disclosed |
| CN-110903194-A | Method for continuously preparing voriconazole intermediate ethyl 2-fluoro-3-oxopentanoate | 南京恒道医药科技有限公司 | 2020-03-24 | — | — | CN | disclosed |
| CN-110903194-A | Method for continuously preparing voriconazole intermediate ethyl 2-fluoro-3-oxopentanoate | 南京恒道医药科技有限公司 | 2020-03-24 | — | — | CN | disclosed |
| CN-106661017-B | Bicyclic or tricyclic heterocyclic compounds | 田边三菱制药株式会社 | 2019-09-24 | — | — | CN | disclosed |
| CN-106456639-B | Prodrugs of HIV Reverse Transcriptase Inhibitors | 默沙东公司 | 2019-05-10 | — | — | CN | disclosed |
| CN-105906529-B | Halogenated -2- diazonium -3- the oxo-pentanoic acid of 4- (4- nitrobenzene) methyl esters and preparation method thereof | 江西富祥药业股份有限公司 | 2018-11-27 | — | — | CN | disclosed |
| CN-107673967-A | A kind of preparation method of α fluoro propionyl acetic acid esters | 上海朴颐化学科技有限公司 | 2018-02-09 | — | — | CN | disclosed |
| CN-106795146-A | Isoxazole derivatives as inhibitors of mutant isocitrate dehydrogenase 1 | 第三共株式会社 | 2017-05-31 | — | — | CN | disclosed |
| CN-103896855-B | The synthetic method of the fluoro-6-chlorine of a kind of 4-(1-bromoethyl)-5-pyrimidine | TECHNOLOGY CENTER OF JUHUA GROUP (CN) | 2016-05-18 | — | — | CN | disclosed |
| EP-1362842-B1 | PROCESS FOR PRODUCING 2-FLUORO-3-OXOALKYLCARBOXYLIC ACID ESTER | TOSOH F TECH INC (JP) | 2007-03-14 | — | — | EP | disclosed |
| US-7019162-B2 | Vapor phase fluorination of an oxocarboxylic ester | TOSOH F-TECH, INC. (JP) | 2006-03-28 | — | — | US | disclosed |
| CN-1150181-C | Substituted benzopyran analogs for treatment of inflammation | GD | 2004-05-19 | — | — | CN | disclosed |
| US-20040054217-A1 | Process for preparing 2-fluoro-3-oxoalkylcarboxylic acid ester | TOSOH F-TECH, INC. (JP) | 2004-03-18 | — | — | US | disclosed |
| EP-1362842-A1 | PROCESS FOR PRODUCING 2-FLUORO-3-OXOALKYLCARBOXYLIC ACID ESTER | Tosoh F-Tech, Inc. (JP) | 2003-11-19 | — | — | EP | disclosed |
| US-20030036668-A1 | Fluorination method | F2 CHEMICALS LIMITED (GB) | 2003-02-20 | — | — | US | disclosed |
| EP-1272445-A1 | FLUORINATION METHOD | F2 Chemicals Limited (GB) | 2003-01-08 | — | — | EP | disclosed |
| CN-1329607-A | Substituted benzopyran analogs for the treatment of inflammation | SEARLE & CO (US) | 2002-01-02 | — | — | CN | disclosed |
| WO-2001079143-A1 | FLUORINATION METHOD | F2 CHEMICALS LIMITED (GB) | 2001-10-25 | — | — | WO | disclosed |