⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL415726 | 0.97 | — | — | |
| Potassium SCHEMBL30560880 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL27887637 | 0.94 | — | — | |
| Lithium SCHEMBL29688006 | 0.94 | — | — | |
| SCHEMBL4669193 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL28276190 | 0.92 | USP2 (0.33) | — | |
| Ethylamine SCHEMBL29241946 | 0.89 | CA1 (0.36) | — | |
| SCHEMBL778652 | 0.81 | USP2 (0.44) | — | |
| SCHEMBL2383762 | 0.80 | — | — | |
| SCHEMBL1773516 | 0.78 | FAAH (0.48) | — |
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-117855629-A | Single ion conductive flexible hydrogel electrolyte, preparation method thereof and application thereof in zinc ion battery | 天津大学 | 2024-04-09 | — | — | CN | disclosed |