⚠ 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL28789069 | 0.93 | — | — | |
| SCHEMBL345097 | 0.93 | — | — | |
| Alcohol SCHEMBL27675013 | 0.91 | FDPS (0.42) | — | |
| Hydrochloric Acid SCHEMBL1121573 | 0.91 | — | — | |
| SCHEMBL29669233 | 0.81 | ACP1 (0.41) | — | |
| SCHEMBL5548976 | 0.74 | — | — | |
| SCHEMBL155115 | 0.73 | — | — | |
| SCHEMBL167744 | 0.73 | — | — | |
| SCHEMBL1680301 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL4478049 | 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-108721239-B | Sustained-release preparation for treating Alzheimer disease and preparation method thereof | 中国医学科学院药物研究所 | 2021-01-12 | — | — | CN | disclosed |