⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28520803 | 0.69 | — | — | |
| Water SCHEMBL28533461 | 0.65 | — | — | |
| Water SCHEMBL28518656 | 0.65 | — | — | |
| SCHEMBL28690384 | 0.59 | — | — | |
| SCHEMBL14064987 | 0.58 | — | — | |
| Carbon Dioxide SCHEMBL29368506 | 0.50 | — | — | |
| Carbon Dioxide SCHEMBL9937404 | 0.46 | — | — | |
| Carbon Dioxide SCHEMBL6425502 | 0.45 | — | — | |
| SCHEMBL31122749 | 0.45 | ALDH1A1 (0.33) | — | |
| Carbon Dioxide SCHEMBL6428193 | 0.45 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114597077-B | Application of pre-lithiated carbon negative electrode material in sodium ion capacitor and potassium ion capacitor | 山东大学 | 2023-09-05 | — | — | CN | disclosed |
| CN-113113235-B | Sodium ion capacitor and negative electrode pre-sodium treatment method thereof | 中国科学院电工研究所 | 2022-11-15 | — | — | CN | disclosed |
| CN-114597077-A | Application of pre-lithiated carbon negative electrode material in sodium ion capacitor and potassium ion capacitor | 山东大学 | 2022-06-07 | — | — | CN | disclosed |