⚠ 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 SCHEMBL273683 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL2807857 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL7261101 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL1246195 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL4269696 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL1225279 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL6413163 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL3692022 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL2860098 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL3131089 | 0.71 | — | — |
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-110465327-B | High-activity heavy aromatic light catalyst and preparation method thereof | 中海油天津化工研究设计院有限公司 | 2022-07-15 | — | — | CN | disclosed |