⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28861366 | 0.83 | — | — | |
| SCHEMBL28244594 | 0.83 | — | — | |
| SCHEMBL1479692 | 0.72 | — | — | |
| SCHEMBL27896189 | 0.71 | HAO1 (0.31) | — | |
| SCHEMBL27374791 | 0.70 | — | — | |
| Water SCHEMBL27851744 | 0.70 | — | — | |
| Water SCHEMBL27374792 | 0.70 | — | — | |
| SCHEMBL9636874 | 0.70 | — | — | |
| SCHEMBL8038567 | 0.70 | — | — | |
| Ammonia Solution, Strong SCHEMBL27634734 | 0.70 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108329445-A | A kind of phenolic resin esterification benzene sulfonate and its synthetic method, printing hydrophilic version and application and galley | 中国科学院化学研究所 | 2018-07-27 | — | — | CN | claimed |
| CN-108329412-A | A kind of polyvinyl alcohol ester benzene sulfonate and its synthetic method, printing hydrophilic version and application and galley | 中国科学院化学研究所 | 2018-07-27 | — | — | CN | claimed |
| CN-109690861-A | Lithium ion secondary battery | 日本电气株式会社 | 2019-04-26 | — | — | CN | disclosed |
| CN-108329412-A | A kind of polyvinyl alcohol ester benzene sulfonate and its synthetic method, printing hydrophilic version and application and galley | 中国科学院化学研究所 | 2018-07-27 | — | — | CN | disclosed |
| CN-108329445-A | A kind of phenolic resin esterification benzene sulfonate and its synthetic method, printing hydrophilic version and application and galley | 中国科学院化学研究所 | 2018-07-27 | — | — | CN | disclosed |
| CN-108091826-A | Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same | 三菱化学株式会社 | 2018-05-29 | — | — | CN | disclosed |
| CN-106848406-A | Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same | 三菱化学株式会社 | 2017-06-13 | — | — | CN | disclosed |
| CN-102569893-B | Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same | MITSUBISHI CHEMICAL CORP. (JP) | 2016-05-11 | — | — | CN | disclosed |