⚠ 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 | |
|---|---|---|---|---|
| Ethylene SCHEMBL954025 | 0.79 | — | — | |
| Ether SCHEMBL15167076 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL497317 | 0.73 | — | — | |
| SCHEMBL10727876 | 0.73 | — | — | |
| SCHEMBL21142040 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL10971902 | 0.71 | — | — | |
| SCHEMBL28135983 | 0.71 | — | — | |
| Ether SCHEMBL511366 | 0.70 | — | — | |
| Ether SCHEMBL5888547 | 0.68 | CA1 (0.40) | — | |
| Ether SCHEMBL11416717 | 0.68 | CA1 (0.40) | — |
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-119833722-A | Secondary battery and electricity utilization device | 合肥国轩高科动力能源有限公司 | 2025-04-15 | — | — | CN | claimed |