⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18170016 | 0.98 | TPI1 (0.31) | — | |
| SCHEMBL18170100 | 0.77 | — | — | |
| SCHEMBL29357505 | 0.68 | FDPS (0.53) | — | |
| SCHEMBL18169860 | 0.64 | — | — | |
| SCHEMBL18170040 | 0.64 | MAPT (0.38) | — | |
| SCHEMBL18169984 | 0.64 | — | — | |
| SCHEMBL18176879 | 0.64 | ALPI (0.39) | — | |
| SCHEMBL20191322 | 0.62 | S1PR1 (0.34) | — | |
| SCHEMBL28843653 | 0.57 | MAPT (0.36) | — | |
| Water SCHEMBL27700129 | 0.57 | TPI1 (0.42) | — |
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-110099899-B | Oxazole derivatives useful as IRAK inhibitors and process for their preparation | 里格尔药品股份有限公司 | 2024-01-02 | — | — | CN | disclosed |