⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL193470 | 0.85 | — | — | |
| SCHEMBL13574309 | 0.84 | — | — | |
| SCHEMBL6609352 | 0.82 | ALDH1A1 (0.47) | — | |
| SCHEMBL1263638 | 0.82 | ALDH1A1 (0.47) | — | |
| SCHEMBL15412364 | 0.82 | ALDH1A1 (0.47) | — | |
| SCHEMBL27623257 | 0.82 | — | — | |
| SCHEMBL1727052 | 0.82 | ALDH1A1 (0.47) | — | |
| Ethylene Glycol SCHEMBL21802491 | 0.80 | TSHR (0.42) | — | |
| Ethylene Glycol SCHEMBL11808919 | 0.80 | TSHR (0.42) | — | |
| SCHEMBL14312046 | 0.78 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116470080-A | Lithium-fluorocarbon battery electrolyte with high specific capacity and high rate performance | 湖南科技大学 | 2023-07-21 | — | — | CN | claimed |
| CN-117903001-A | Partial fluoro-nitrile electrolyte material | 湖南科技大学 | 2024-04-19 | — | — | CN | disclosed |
| CN-116470080-A | Lithium-fluorocarbon battery electrolyte with high specific capacity and high rate performance | 湖南科技大学 | 2023-07-21 | — | — | CN | disclosed |
| US-20130157119-A1 | SECONDARY BATTERY | NEC CORPORATION (JP) | 2013-06-20 | — | — | US | disclosed |