⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28087037 | 0.89 | — | — | |
| SCHEMBL27458815 | 0.80 | — | — | |
| SCHEMBL27909492 | 0.80 | — | — | |
| Water SCHEMBL28319132 | 0.80 | — | — | |
| Fluoride SCHEMBL27943247 | 0.80 | — | — | |
| SCHEMBL28057989 | 0.80 | — | — | |
| SCHEMBL28078817 | 0.80 | — | — | |
| SCHEMBL27886841 | 0.80 | — | — | |
| SCHEMBL27962973 | 0.80 | — | — | |
| Fluoride SCHEMBL28124281 | 0.73 | — | — |
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-115418679-A | Method for preparing metallic titanium by electrolyzing titanium dioxide in fluoride molten salt-electroactive oxide system | 昆明理工大学 | 2022-12-02 | — | — | CN | disclosed |