⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28839009 | 0.78 | CA1 (0.54) | — | |
| Lithium SCHEMBL29859773 | 0.77 | CA1 (0.52) | — | |
| SCHEMBL28825268 | 0.77 | CA1 (0.52) | — | |
| SCHEMBL3843896 | 0.69 | GABRA1 (0.50) | — | |
| SCHEMBL29132845 | 0.65 | — | — | |
| SCHEMBL1318524 | 0.61 | GABRA1 (0.55) | — | |
| SCHEMBL17707899 | 0.59 | CA1 (0.39) | — | |
| SCHEMBL18579826 | 0.59 | ESR1 (0.42) | — | |
| SCHEMBL31721524 | 0.58 | TRPA1 (0.31) | — | |
| SCHEMBL7056361 | 0.58 | NR1H2 (0.54) | — |
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-114933665-B | Heterometal binuclear catalyst and preparation method, composition and application thereof | 中国科学院长春应用化学研究所 | 2023-11-21 | — | — | CN | disclosed |