⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL294565 | 0.97 | — | — | |
| Water SCHEMBL28177905 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL28083528 | 0.95 | — | — | |
| Bromide SCHEMBL28396203 | 0.95 | — | — | |
| Iodide SCHEMBL26646450 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL28175656 | 0.93 | — | — | |
| SCHEMBL29213754 | 0.89 | — | — | |
| SCHEMBL28120734 | 0.89 | — | — | |
| SCHEMBL26646396 | 0.89 | — | — | |
| Lithium Ion SCHEMBL31059277 | 0.87 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111224163-B | Electrolyte composition and metal ion battery comprising same | 财团法人工业技术研究院 | 2022-02-22 | — | — | CN | claimed |
| CN-111224163-A | Electrolyte composition and metal ion battery comprising same | 财团法人工业技术研究院 | 2020-06-02 | — | — | CN | claimed |