⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL513371 | 0.85 | — | — | |
| SCHEMBL2251688 | 0.76 | — | — | |
| Butane SCHEMBL28702698 | 0.65 | — | — | |
| Butane SCHEMBL20591002 | 0.65 | — | — | |
| Vinyl Ether SCHEMBL549216 | 0.65 | — | — | |
| Butane SCHEMBL9349259 | 0.64 | — | — | |
| SCHEMBL28578377 | 0.63 | — | — | |
| Vinyl Ether SCHEMBL5372296 | 0.63 | ALDH1A1 (0.33) | — | |
| Butane SCHEMBL378948 | 0.63 | — | — | |
| SCHEMBL822728 | 0.61 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210043972-A1 | NONAQUEOUS ELECTROLYTE SOLUTION FOR BATTERIES, AND LITHIUM SECONDARY BATTERY | MITSUI CHEMICALS, INC. (JP) | 2021-02-11 | — | — | US | disclosed |
| EP-3745520-A1 | NONAQUEOUS ELECTROLYTE SOLUTION FOR BATTERIES, AND LITHIUM SECONDARY BATTERY | Mitsui Chemicals, Inc. (JP) | 2020-12-02 | — | — | EP | disclosed |
| EP-3373378-B1 | NONAQUEOUS ELECTROLYTE SOLUTION FOR SECONDARY BATTERIES, AND SECONDARY BATTERY | MITSUI CHEMICALS INC (JP) | 2020-04-29 | — | — | EP | disclosed |
| US-10476108-B2 | Non-aqueous electrolyte solution for secondary battery, and secondary battery | MITSUI CHEMICALS, INC. (JP) | 2019-11-12 | — | — | US | disclosed |
| US-10242874-B2 | Diffusing agent composition and method of manufacturing semiconductor substrate | TOKYO OHKA KOGYO CO., LTD. (JP) | 2019-03-26 | — | — | US | disclosed |
| US-20180374704-A1 | DIFFUSING AGENT COMPOSITION AND METHOD OF MANUFACTURING SEMICONDUCTOR SUBSTRATE | TOKYO OHKA KOGYO CO., LTD. (JP) | 2018-12-27 | — | — | US | disclosed |
| EP-3373378-A1 | NONAQUEOUS ELECTROLYTE SOLUTION FOR SECONDARY BATTERIES, AND SECONDARY BATTERY | Mitsui Chemicals, Inc. (JP) | 2018-09-12 | — | — | EP | disclosed |