⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22899062 | 0.91 | — | — | |
| SCHEMBL28140360 | 0.86 | — | — | |
| SCHEMBL28311676 | 0.84 | ALDH1A1 (0.31) | — | |
| SCHEMBL28226244 | 0.82 | ALDH1A1 (0.34) | — | |
| SCHEMBL28259924 | 0.82 | ALDH1A1 (0.34) | — | |
| SCHEMBL27375286 | 0.78 | — | — | |
| SCHEMBL19113819 | 0.69 | — | — | |
| SCHEMBL3128098 | 0.61 | — | — | |
| SCHEMBL10035890 | 0.59 | — | — | |
| SCHEMBL17429849 | 0.59 | — | — |
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-109923147-A | The manufacturing method of poly(aryl ether ketone) | 株式会社吴羽 | 2019-06-21 | — | — | CN | disclosed |