⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27266165 | 0.75 | — | — | |
| SCHEMBL3000289 | 0.75 | — | — | |
| SCHEMBL30888062 | 0.75 | — | — | |
| SCHEMBL1706472 | 0.75 | — | — | |
| SCHEMBL2995714 | 0.75 | — | — | |
| SCHEMBL28427549 | 0.74 | ALDH1A1 (0.44) | — | |
| SCHEMBL2069150 | 0.73 | ALDH1A1 (0.40) | — | |
| SCHEMBL24201765 | 0.73 | — | — | |
| SCHEMBL22073959 | 0.73 | — | — | |
| SCHEMBL29103987 | 0.71 | ALDH1A1 (0.42) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105566406-A | Preparation method of fluorodesoxyribofuranose | JIANGXI SHENGFU CHEMICAL CO LTD | 2016-05-11 | — | — | CN | claimed |
| CN-109824492-A | A method of single fluorine bromo acetone derivatives are synthesized with Grignard Reagent | 上海应用技术大学 | 2019-05-31 | — | — | CN | disclosed |
| CN-109715630-A | β -lactamase inhibitor compounds | 恩塔西斯治疗有限公司 | 2019-05-03 | — | — | CN | disclosed |
| CN-109641906-A | HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS | 百时美施贵宝公司 | 2019-04-16 | — | — | CN | disclosed |
| CN-107531660-A | α cinnamide compounds and composition as HDAC8 inhibitor | 福马治疗股份有限公司 | 2018-01-02 | — | — | CN | disclosed |
| CN-105566406-A | Preparation method of fluorodesoxyribofuranose | JIANGXI SHENGFU CHEMICAL CO LTD | 2016-05-11 | — | — | CN | disclosed |
| CN-103476760-B | As the Isosorbide-5-Nitrae-oxygen azepine * of BACE1 and/or BACE2 inhibitor | HOFFMAN-LA ROCHE LTD. (CH) | 2015-11-25 | — | — | CN | disclosed |
| CN-103391928-B | 1, 4-oxaza as BACE1 and/or BACE2 inhibitors | HOFFMAN-LA ROCHE LTD. (CH) | 2015-11-25 | — | — | CN | disclosed |
| CN-102958922-B | 2,5,6,7-tetrahydrochysene-[Isosorbide-5-Nitrae] oxygen azepine *-3-base amine or 2,3,6,7-tetrahydrochysene-[Isosorbide-5-Nitrae] oxygen azepine *-5-ylamine compounds | HOFFMAN-LA ROCHE LTD. (CH) | 2015-09-30 | — | — | CN | disclosed |
| CN-104603127-A | Complement pathway modulators and uses thereof | NOVARTIS AG | 2015-05-06 | — | — | CN | disclosed |
| CN-103608344-A | [1,3]oxazines | HOFFMANN LA ROCHE | 2014-02-26 | — | — | CN | disclosed |
| CN-103534243-A | 1, 3-oxazines as BACE1 and/or BACE2 inhibitors | HOFFMANN LA ROCHE | 2014-01-22 | — | — | CN | disclosed |
| CN-103502227-A | 1 as BACE1 and/or BACE2 inhibitors | HOFFMANN LA ROCHE | 2014-01-08 | — | — | CN | disclosed |
| CN-103476760-A | 1,4-oxazepines as BACE1 and/or BACE2 inhibitors | HOFFMANN LA ROCHE | 2013-12-25 | — | — | CN | disclosed |
| CN-100482680-C | excitatory amino acid prodrugs | LILLY CO ELI (US) | 2009-04-29 | — | — | CN | disclosed |
| CN-101362793-A | Prodrugs of excitatory amino acids | LILLY CO ELI (US) | 2009-02-11 | — | — | CN | disclosed |
| CN-101084236-A | excitatory amino acid prodrugs | LILLY CO ELI (US) | 2007-12-05 | — | — | CN | disclosed |