⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1045149 | 0.66 | — | — | |
| SCHEMBL19336586 | 0.66 | CCR2 (0.47) | — | |
| SCHEMBL5502351 | 0.66 | — | — | |
| SCHEMBL13522745 | 0.66 | FABP4 (0.47) | — | |
| SCHEMBL5549485 | 0.65 | ALDH1A1 (0.39) | — | |
| SCHEMBL24458679 | 0.65 | CA1 (0.47) | — | |
| SCHEMBL13522883 | 0.64 | MEN1 (0.51) | — | |
| SCHEMBL5487336 | 0.63 | CYP1A2 (0.46) | — | |
| SCHEMBL23048487 | 0.63 | TSHR (0.32) | — | |
| SCHEMBL18034654 | 0.62 | — | — |
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-109721531-B | Novel liposome kinase inhibitor | 中国科学院合肥物质科学研究院 | 2022-07-29 | — | — | CN | disclosed |