⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL152453 | 0.81 | CA1 (0.35) | — | |
| SCHEMBL27758848 | 0.78 | CA1 (0.33) | — | |
| SCHEMBL10726469 | 0.75 | CA1 (0.32) | — | |
| SCHEMBL18789359 | 0.74 | — | — | |
| SCHEMBL7930715 | 0.74 | — | — | |
| SCHEMBL23835569 | 0.71 | — | — | |
| SCHEMBL779321 | 0.71 | USP2 (0.35) | — | |
| SCHEMBL541873 | 0.69 | — | — | |
| SCHEMBL3172716 | 0.69 | — | — | |
| SCHEMBL12340484 | 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-117410568-B | Wide-temperature-range high-voltage lithium battery electrolyte and preparation method thereof | 华南师范大学 | 2024-05-31 | — | — | CN | disclosed |
| CN-117410568-A | Wide-temperature-range high-voltage lithium battery electrolyte and preparation method thereof | 华南师范大学 | 2024-01-16 | — | — | CN | disclosed |