⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29034638 | 0.79 | — | — | |
| SCHEMBL775261 | 0.78 | — | — | |
| SCHEMBL28992494 | 0.77 | TDP1 (0.37) | — | |
| SCHEMBL28992506 | 0.71 | TSHR (0.39) | — | |
| SCHEMBL28992526 | 0.69 | TSHR (0.36) | — | |
| SCHEMBL29034637 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL25279821 | 0.68 | — | — | |
| SCHEMBL10493350 | 0.67 | — | — | |
| SCHEMBL29034640 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL25279867 | 0.64 | — | — |
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-111108642-B | Nonaqueous electrolyte, nonaqueous electrolyte secondary battery, and energy device | 三菱化学株式会社 | 2024-04-02 | — | — | CN | disclosed |
| CN-117790904-A | Nonaqueous electrolyte, nonaqueous electrolyte secondary battery, and energy device | 三菱化学株式会社 | 2024-03-29 | — | — | CN | disclosed |
| CN-111628217-B | Electrolyte for lithium ion secondary battery, and assembly | 丰田自动车株式会社 | 2023-12-15 | — | — | CN | disclosed |
| CN-111344891-B | Nonaqueous electrolyte and energy device using same | 三菱化学株式会社 | 2023-05-02 | — | — | CN | disclosed |