⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL687303 | 0.95 | — | — | |
| Tetrafluoroethylene SCHEMBL28007380 | 0.79 | — | — | |
| SCHEMBL3822566 | 0.69 | — | — | |
| SCHEMBL13449403 | 0.67 | — | — | |
| SCHEMBL1885284 | 0.67 | — | — | |
| SCHEMBL1965242 | 0.67 | — | — | |
| SCHEMBL1883551 | 0.64 | — | — | |
| SCHEMBL7763572 | 0.64 | — | — | |
| SCHEMBL10397046 | 0.64 | — | — | |
| SCHEMBL421508 | 0.56 | — | — |
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-109599592-A | A kind of secondary lithium-sulfur battery intrinsic safety electrolyte and preparation method thereof | 上海交通大学 | 2019-04-09 | — | — | CN | disclosed |