⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11216608 | 0.84 | CTRB1 (0.39) | — | |
| SCHEMBL21375478 | 0.84 | CTRB1 (0.39) | — | |
| SCHEMBL7488958 | 0.84 | — | — | |
| SCHEMBL770602 | 0.81 | — | — | |
| SCHEMBL503350 | 0.81 | PKM (0.37) | — | |
| SCHEMBL28058616 | 0.80 | — | — | |
| SCHEMBL19915241 | 0.79 | PKM (0.35) | — | |
| SCHEMBL10496264 | 0.79 | PKM (0.35) | — | |
| SCHEMBL23829882 | 0.77 | — | — | |
| SCHEMBL27966643 | 0.77 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1539827-A | 6-substitution-5-fluorin-4-hydroxy miazines compound and intermediate, synthetic method and usage | 中国科学院上海有机化学研究所 | 2004-10-27 | — | — | CN | claimed |
| CN-108780922-A | Secondary cell electrolyte and secondary cell | 日本电气株式会社 | 2018-11-09 | — | — | CN | disclosed |
| CN-108603068-A | It is used to form the fluoropolymer solutions of fluoropolymer coating | 科慕埃弗西有限公司 | 2018-09-28 | — | — | CN | disclosed |
| CN-107742743-A | Lithium secondary battery | 日本电气株式会社 | 2018-02-27 | — | — | CN | disclosed |
| CN-107382659-A | A kind of preparation method of 2,3,3,3 tetrafluoropropene | 山东国邦药业股份有限公司 | 2017-11-24 | — | — | CN | disclosed |
| CN-104364958-B | Lithium secondary battery | 日本电气株式会社 | 2017-10-17 | — | — | CN | disclosed |
| CN-105745192-A | Substituted phenylalanine derivatives | 拜耳制药股份公司 | 2016-07-06 | — | — | CN | disclosed |
| CN-103664584-B | Method for preparing a-fluoro-propionyl acetate | HUNAN FANGSHENG PHARMACEUTICAL CO LTD | 2015-06-03 | — | — | CN | disclosed |
| CN-103664584-A | Method for preparing a-fluoro-propionyl acetate | JIANGSU FANGSHENG PHARMACEUTICAL CO LTD | 2014-03-26 | — | — | CN | disclosed |
| CN-101679193-A | Process for producing fluorine-containing carboxylic acid ester | CENTRAL GLASS CO LTD | 2010-03-24 | — | — | CN | disclosed |