⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1044371 | 0.79 | — | — | |
| SCHEMBL142525 | 0.75 | — | — | |
| SCHEMBL5409975 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL28697437 | 0.73 | — | — | |
| SCHEMBL1066468 | 0.71 | — | — | |
| SCHEMBL28975976 | 0.71 | — | — | |
| SCHEMBL3161023 | 0.71 | ALDH1A1 (0.31) | — | |
| Methyl Alcohol SCHEMBL8086886 | 0.71 | — | — | |
| SCHEMBL3451559 | 0.71 | — | — | |
| SCHEMBL28929947 | 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-115873730-A | Method for at least partially forming a polymeric shell layer on the surface of a single cell | 北京化工大学 | 2023-03-31 | — | — | CN | disclosed |