⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26646396 | 1.00 | — | — | |
| SCHEMBL294565 | 0.91 | — | — | |
| Water SCHEMBL28177905 | 0.89 | — | — | |
| Iodide SCHEMBL26646450 | 0.89 | — | — | |
| Fluoride SCHEMBL28891980 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL28083528 | 0.89 | — | — | |
| Bromide SCHEMBL28396203 | 0.89 | — | — | |
| SCHEMBL28120734 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL28175656 | 0.86 | — | — | |
| Lithium Ion SCHEMBL31059277 | 0.85 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117915753-A | Piezoelectric ion material based on phase separation and intermediate layer interface structure and preparation thereof | 东华大学 | 2024-04-19 | — | — | CN | disclosed |