⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28064599 | 0.84 | — | — | |
| SCHEMBL23213377 | 0.84 | TSHR (0.30) | — | |
| SCHEMBL30052732 | 0.84 | — | — | |
| SCHEMBL29729044 | 0.84 | TSHR (0.30) | — | |
| SCHEMBL4894736 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL4894741 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL19667932 | 0.79 | — | — | |
| SCHEMBL19667931 | 0.79 | — | — | |
| SCHEMBL21805858 | 0.77 | — | — | |
| SCHEMBL8952134 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114556656-A | Electrolyte solution for lithium ion battery cells | 霍尼韦尔国际公司 | 2022-05-27 | — | — | CN | disclosed |
| EP-3997753-A1 | ELECTROLYTE SOLUTION FOR A LITHIUM ION CELL | Honeywell International Inc. (US) | 2022-05-18 | — | — | EP | disclosed |