⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28508161 | 1.00 | — | — | |
| SCHEMBL1660565 | 0.79 | GAA (0.36) | — | |
| SCHEMBL1782923 | 0.79 | GAA (0.36) | — | |
| SCHEMBL8520817 | 0.77 | MAPT (0.37) | — | |
| SCHEMBL8520818 | 0.77 | MAPT (0.37) | — | |
| SCHEMBL28508968 | 0.75 | ACHE (0.36) | — | |
| SCHEMBL28520503 | 0.75 | — | — | |
| SCHEMBL8051228 | 0.73 | — | — | |
| SCHEMBL11655062 | 0.72 | — | — | |
| SCHEMBL11655065 | 0.72 | — | — |
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-108530241-B | Preparation method of benzo ring derivative with benzyl quaternary carbon center | 武汉大学 | 2021-02-02 | — | — | CN | claimed |