⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7305562 | 0.70 | — | — | |
| SCHEMBL5731681 | 0.70 | — | — | |
| SCHEMBL19257758 | 0.69 | SIGMAR1 (0.31) | — | |
| SCHEMBL31506693 | 0.68 | — | — | |
| SCHEMBL4541902 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL9838541 | 0.68 | MAPK1 (0.31) | — | |
| SCHEMBL7305554 | 0.68 | MAPK1 (0.31) | — | |
| SCHEMBL17274595 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL6944862 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL1573637 | 0.68 | MAPK1 (0.31) | — |
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-114957239-A | Chiral fluorine-containing tropane derivative and preparation method and application thereof | 四川大学 | 2022-08-30 | — | — | CN | claimed |