⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23721439 | 0.88 | — | — | |
| SCHEMBL30913965 | 0.87 | CCR2 (0.47) | — | |
| SCHEMBL22758567 | 0.86 | — | — | |
| SCHEMBL15598678 | 0.86 | — | — | |
| SCHEMBL23721402 | 0.85 | CTSL (0.45) | — | |
| SCHEMBL30174896 | 0.85 | CTSL (0.45) | — | |
| SCHEMBL21772495 | 0.85 | — | — | |
| SCHEMBL19586709 | 0.85 | — | — | |
| SCHEMBL21772497 | 0.85 | — | — | |
| SCHEMBL24766273 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021151265-A1 | PHARMACEUTICAL USE OF ALDEHYDE-BASED COMPOUND | 中国科学院上海药物研究所 | 2021-08-05 | — | — | WO | disclosed |