⚠ 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 | |
|---|---|---|---|---|
| Phosphoric Acid SCHEMBL2874997 | 0.84 | — | — | |
| SCHEMBL7754570 | 0.81 | — | — | |
| Phosphoric Acid SCHEMBL2867050 | 0.80 | CA2 (0.33) | — | |
| SCHEMBL634685 | 0.78 | CA2 (0.46) | — | |
| SCHEMBL88352 | 0.78 | — | — | |
| SCHEMBL31402615 | 0.78 | CA2 (0.46) | — | |
| SCHEMBL2486859 | 0.78 | CA2 (0.46) | — | |
| SCHEMBL28692129 | 0.77 | — | — | |
| Ethylene SCHEMBL9100450 | 0.75 | CA2 (0.36) | — | |
| Water SCHEMBL17318091 | 0.74 | — | — |
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-117790910-A | High-voltage sodium ion battery electrolyte and preparation method and application thereof | 北京大学 | 2024-03-29 | — | — | CN | claimed |
| CN-117790910-A | High-voltage sodium ion battery electrolyte and preparation method and application thereof | 北京大学 | 2024-03-29 | — | — | CN | disclosed |