⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30564371 | 0.89 | — | — | |
| SCHEMBL30564426 | 0.84 | ELANE (0.30) | — | |
| SCHEMBL30564469 | 0.84 | ELANE (0.32) | — | |
| SCHEMBL30564359 | 0.80 | GAA (0.31) | — | |
| SCHEMBL30564356 | 0.74 | CCNE2 (0.32) | — | |
| SCHEMBL30564483 | 0.73 | ELANE (0.32) | — | |
| SCHEMBL30564381 | 0.67 | ELANE (0.34) | — | |
| SCHEMBL30564389 | 0.65 | PTGS2 (0.39) | — | |
| SCHEMBL30564408 | 0.64 | — | — | |
| SCHEMBL23887388 | 0.63 | ELANE (0.33) | — |
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-116715658-A | Benzocyclic ketone derivative regulator, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2023-09-08 | — | — | CN | disclosed |