⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28959100 | 0.74 | RIPK1 (0.37) | — | |
| SCHEMBL416284 | 0.71 | LTA4H (0.38) | — | |
| SCHEMBL31013244 | 0.71 | POLB (0.46) | — | |
| SCHEMBL31013243 | 0.71 | POLB (0.46) | — | |
| SCHEMBL8992480 | 0.70 | DNM1 (0.40) | — | |
| SCHEMBL8992135 | 0.70 | DNM1 (0.40) | — | |
| SCHEMBL5973636 | 0.70 | DNM1 (0.40) | — | |
| SCHEMBL561210 | 0.70 | DNM1 (0.40) | — | |
| SCHEMBL114778 | 0.69 | LTA4H (0.38) | — | |
| Hydrochloric Acid SCHEMBL27842651 | 0.67 | LTA4H (0.36) | — |
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-115057833-A | Synthetic route and intermediate compound of anticancer drug cabazitaxel | 上海健佑生物科技有限公司 | 2022-09-16 | — | — | CN | claimed |