⚠ 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 | |
|---|---|---|---|---|
| Hydroxyamine SCHEMBL28472894 | 1.00 | — | — | |
| Hydroxyamine SCHEMBL27858024 | 0.89 | — | — | |
| Hydroxyamine SCHEMBL28347479 | 0.89 | — | — | |
| Hydroxyamine SCHEMBL28653430 | 0.89 | — | — | |
| Hydroxyamine SCHEMBL6598818 | 0.89 | — | — | |
| Hydroxyamine SCHEMBL15869353 | 0.87 | — | — | |
| Hydroxyamine SCHEMBL3273025 | 0.87 | — | — | |
| Hydroxyamine SCHEMBL1248 | 0.87 | — | — | |
| Hydroxyamine SCHEMBL23327360 | 0.75 | — | — | |
| Hydroxyamine SCHEMBL351722 | 0.75 | — | — |
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-112940273-B | Graphene-based energetic MOFs and preparation method thereof | 西安近代化学研究所 | 2022-05-24 | — | — | CN | disclosed |