⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2740918 | 0.75 | — | — | |
| SCHEMBL2639317 | 0.72 | — | — | |
| Carbonotrithioic Acid SCHEMBL5146473 | 0.72 | — | — | |
| SCHEMBL2220091 | 0.72 | — | — | |
| Carbonotrithioic Acid SCHEMBL19959 | 0.72 | — | — | |
| Carbonotrithioic Acid SCHEMBL27903774 | 0.72 | CA1 (1.00) | — | |
| SCHEMBL10627054 | 0.67 | — | — | |
| SCHEMBL5691 | 0.67 | — | — | |
| SCHEMBL1256635 | 0.67 | — | — | |
| Carbonotrithioic Acid SCHEMBL7959788 | 0.67 | — | — |
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-115504961-B | Waster acid ester compound, electrolyte, preparation method of waster acid ester compound and electrolyte, and electrochemical device | 厦门海辰储能科技股份有限公司 | 2024-03-15 | — | — | CN | disclosed |
| CN-112839998-B | Vehicle and delivery system for oxidizing agents | 伊克赛腾药业股份有限公司 | 2022-11-18 | — | — | CN | disclosed |