⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6757709 | 1.00 | — | — | |
| SCHEMBL38517 | 1.00 | — | — | |
| SCHEMBL27918744 | 1.00 | — | — | |
| SCHEMBL8361587 | 1.00 | — | — | |
| SCHEMBL6761879 | 0.82 | — | — | |
| SCHEMBL7258923 | 0.82 | — | — | |
| SCHEMBL9761785 | 0.82 | — | — | |
| SCHEMBL22230448 | 0.82 | — | — | |
| SCHEMBL22261429 | 0.82 | — | — | |
| SCHEMBL3780342 | 0.82 | — | — |
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-116805692-A | Preparation method of cobalt tetrasulfide-nickel doped layered double hydroxide combined with titanium dioxide doped carbide catalyst | 曲阜师范大学 | 2023-09-26 | — | — | CN | disclosed |