⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4359144 | 0.89 | — | — | |
| SCHEMBL28231113 | 0.80 | — | — | |
| SCHEMBL28968059 | 0.80 | — | — | |
| SCHEMBL30925694 | 0.80 | — | — | |
| SCHEMBL27777048 | 0.78 | — | — | |
| SCHEMBL29961095 | 0.78 | — | — | |
| SCHEMBL43134 | 0.78 | — | — | |
| SCHEMBL82518 | 0.78 | — | — | |
| Tetrafluoroethylene SCHEMBL28127366 | 0.73 | — | — | |
| SCHEMBL17938717 | 0.67 | — | — |
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-104411640-B | Doped spinel, preparation method and application thereof, and lithium ion battery | 卡尔斯鲁厄技术研究所 | 2016-09-14 | — | — | CN | disclosed |