⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2913551 | 0.89 | — | — | |
| SCHEMBL28624485 | 0.89 | — | — | |
| SCHEMBL21876408 | 0.80 | — | — | |
| SCHEMBL21876423 | 0.80 | — | — | |
| SCHEMBL20137376 | 0.80 | — | — | |
| SCHEMBL20137360 | 0.80 | — | — | |
| SCHEMBL4342954 | 0.80 | — | — | |
| SCHEMBL21876402 | 0.80 | — | — | |
| SCHEMBL20137363 | 0.80 | — | — | |
| SCHEMBL1721969 | 0.78 | — | — |
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-117199320-A | Positive electrode material of magnesium-molybdenum doped cobalt-free nickel-rich lithium ion battery and preparation method thereof | 天津大学 | 2023-12-08 | — | — | CN | disclosed |