⚠ 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 SCHEMBL27988621 | 1.00 | — | — | |
| SCHEMBL27084 | 0.96 | — | — | |
| SCHEMBL27668697 | 0.96 | ALDH1A1 (0.38) | — | |
| SCHEMBL5518857 | 0.96 | — | — | |
| SCHEMBL29444430 | 0.93 | — | — | |
| SCHEMBL30610359 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL9231913 | 0.93 | — | — | |
| SCHEMBL30610348 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL28387642 | 0.93 | — | — | |
| SCHEMBL28050844 | 0.93 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111185239-B | CO (carbon monoxide)2Preparation method and application of epoxidation fixed catalyst | 东南大学 | 2022-04-08 | — | — | CN | claimed |
| CN-110606959-A | MOFs composite material containing heteropoly acid and transition metal complex and preparation method and application thereof | 海南大学 | 2019-12-24 | — | — | CN | claimed |
| CN-110078751-B | Porous crystalline material with sodium chloride type and preparation method thereof | 复旦大学 | 2021-04-02 | — | — | CN | disclosed |