⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17632504 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL25368842 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL6837198 | 0.67 | — | — | |
| SCHEMBL6837330 | 0.63 | — | — | |
| SCHEMBL13257090 | 0.63 | — | — | |
| SCHEMBL17632126 | 0.63 | ALDH1A1 (0.38) | — | |
| SCHEMBL4753884 | 0.63 | HTR2B (0.39) | — | |
| SCHEMBL367076 | 0.63 | MAPT (0.34) | — | |
| SCHEMBL29211469 | 0.63 | — | — | |
| SCHEMBL29099875 | 0.63 | MEN1 (0.34) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113993587-A | Thiazole derivatives as protein secretion inhibitors | 科智生命科学公司 | 2022-01-28 | — | — | CN | disclosed |
| CN-113166137-A | O-glycoprotein-2-acetamido-2-deoxy-3-D-glucopyranosidase inhibitors | 比奥根MA公司 | 2021-07-23 | — | — | CN | disclosed |