⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17701973 | 0.75 | — | — | |
| SCHEMBL258425 | 0.73 | — | — | |
| SCHEMBL29240020 | 0.70 | — | — | |
| SCHEMBL258459 | 0.70 | — | — | |
| SCHEMBL258624 | 0.70 | — | — | |
| SCHEMBL258749 | 0.70 | — | — | |
| SCHEMBL258424 | 0.70 | — | — | |
| Cyanide SCHEMBL15194597 | 0.64 | — | — | |
| SCHEMBL29591 | 0.64 | — | — | |
| SCHEMBL9653042 | 0.64 | — | — |
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-116178461-A | Cyclized phosphate sugar ester compound and application thereof | 中国农业大学 | 2023-05-30 | — | — | CN | disclosed |