⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28042213 | 0.82 | — | — | |
| SCHEMBL29377725 | 0.71 | — | — | |
| SCHEMBL29378423 | 0.71 | — | — | |
| SCHEMBL30087555 | 0.71 | — | — | |
| SCHEMBL1316766 | 0.71 | — | — | |
| SCHEMBL23453889 | 0.71 | — | — | |
| SCHEMBL29439098 | 0.71 | — | — | |
| SCHEMBL19781 | 0.71 | — | — | |
| SCHEMBL7590436 | 0.71 | — | — | |
| SCHEMBL8433806 | 0.71 | — | — |
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-109390195-A | A kind of submicrometer structure top layer cathode containing scandium and preparation method thereof | 北京工业大学 | 2019-02-26 | — | — | CN | disclosed |