⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2909540 | 0.95 | — | — | |
| SCHEMBL29093301 | 0.91 | — | — | |
| SCHEMBL19766754 | 0.78 | — | — | |
| Ether SCHEMBL9513735 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL7525573 | 0.75 | — | — | |
| SCHEMBL22719887 | 0.75 | — | — | |
| SCHEMBL8360326 | 0.70 | — | — | |
| SCHEMBL6525198 | 0.67 | — | — | |
| SCHEMBL58439 | 0.67 | — | — | |
| SCHEMBL12026199 | 0.65 | — | — |
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-112366057-A | Organic-inorganic hybrid nano titanate coated metal soft magnetic composite material and preparation method thereof | 浙江工业大学 | 2021-02-12 | — | — | CN | disclosed |