⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL438395 | 0.76 | — | — | |
| SCHEMBL1303462 | 0.72 | — | — | |
| SCHEMBL17164897 | 0.69 | — | — | |
| SCHEMBL6474155 | 0.67 | — | — | |
| SCHEMBL6087505 | 0.64 | — | — | |
| SCHEMBL5301765 | 0.64 | — | — | |
| SCHEMBL18540655 | 0.64 | — | — | |
| SCHEMBL1044651 | 0.64 | — | — | |
| Water SCHEMBL29064483 | 0.64 | — | — | |
| SCHEMBL653171 | 0.64 | — | — |
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-105457088-B | A kind of method for preparing the titanium with antibacterial anti-cancer properties | 广西中医药大学 | 2018-04-03 | — | — | CN | claimed |