⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL2886635 | 0.96 | — | — | |
| SCHEMBL1678600 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL2883120 | 0.93 | ADH1A (0.48) | — | |
| Ammonia Solution, Strong SCHEMBL2880821 | 0.93 | ADH1A (0.48) | — | |
| Ammonia Solution, Strong SCHEMBL2887232 | 0.93 | ADH1A (0.48) | — | |
| Ammonia Solution, Strong SCHEMBL2889106 | 0.93 | ADH1A (0.48) | — | |
| Ammonia Solution, Strong SCHEMBL2886729 | 0.93 | ADH1A (0.48) | — | |
| Ammonia Solution, Strong SCHEMBL2883490 | 0.93 | ADH1A (0.48) | — | |
| SCHEMBL284507 | 0.92 | — | — | |
| SCHEMBL12036975 | 0.92 | ADH1A (0.46) | — |
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-114031974-B | Ink-jet printing ink and electroluminescent device | 广东聚华印刷显示技术有限公司 | 2023-09-26 | — | — | CN | disclosed |