⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22661237 | 0.87 | — | — | |
| SCHEMBL24251717 | 0.86 | POLB (0.33) | — | |
| SCHEMBL620188 | 0.84 | ALDH1A1 (0.32) | — | |
| SCHEMBL11195794 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL28670550 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL12957727 | 0.77 | — | — | |
| SCHEMBL3660895 | 0.77 | — | — | |
| SCHEMBL13091422 | 0.77 | KDM4E (0.36) | — | |
| SCHEMBL9787607 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL10044833 | 0.75 | ALDH1A1 (0.32) | — |
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-2023124736-A1 | X-RAY DEVELOPABLE MOLECULE, X-RAY DEVELOPABLE EMBOLIC MICROSPHERE AND PREPARATION METHOD THEREFOR | 上海汇禾医疗科技有限公司 | 2023-07-06 | — | — | WO | disclosed |