⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL35719 | 0.96 | — | — | |
| Ethylene SCHEMBL167404 | 0.93 | LMNA (0.33) | — | |
| Ethane SCHEMBL28230463 | 0.90 | ALDH1A1 (0.37) | — | |
| Bicarbonate SCHEMBL27611180 | 0.90 | LMNA (0.39) | — | |
| Bicarbonate SCHEMBL25229752 | 0.90 | LMNA (0.39) | — | |
| SCHEMBL28197246 | 0.87 | ALDH1A1 (0.35) | — | |
| Propene SCHEMBL896102 | 0.87 | ALDH1A1 (0.35) | — | |
| Ethylene Glycol SCHEMBL6115701 | 0.84 | TSHR (0.39) | — | |
| Acetic Acid SCHEMBL27471499 | 0.84 | FFAR3 (0.41) | — | |
| SCHEMBL5134493 | 0.84 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023068905-A1 | ELECTROLYTE ADDITIVE, ELECTROLYTE FOR LITHIUM SECONDARY BATTERY COMPRISING SAME, AND LITHIUM SECONDARY BATTERY | 주식회사 엘지에너지솔루션 | 2023-04-27 | — | — | WO | disclosed |