⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29402470 | 0.94 | — | — | |
| SCHEMBL27709364 | 0.94 | — | — | |
| SCHEMBL23056 | 0.94 | — | — | |
| SCHEMBL9775749 | 0.94 | — | — | |
| SCHEMBL31347820 | 0.89 | — | — | |
| Chloroform SCHEMBL10009248 | 0.89 | — | — | |
| SCHEMBL27780617 | 0.89 | — | — | |
| Water SCHEMBL7874189 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL584485 | 0.89 | — | — | |
| Hydrogen Sulfide SCHEMBL27692350 | 0.89 | — | — |
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-107597097-B | Preparation method and application of supported molybdenum oxide catalyst | 北京林业大学 | 2020-07-24 | — | — | CN | disclosed |