⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL28178425 | 0.96 | — | — | |
| SCHEMBL32910 | 0.92 | — | — | |
| Tetrafluoroethylene SCHEMBL28177389 | 0.90 | — | — | |
| Methane SCHEMBL28056031 | 0.88 | — | — | |
| SCHEMBL28251395 | 0.88 | — | — | |
| Tetrafluoroethylene SCHEMBL21143530 | 0.86 | — | — | |
| Ethylene SCHEMBL28155435 | 0.85 | — | — | |
| Tetrafluoroethylene SCHEMBL28135602 | 0.83 | — | — | |
| SCHEMBL561477 | 0.81 | — | — | |
| Bicarbonate SCHEMBL20423768 | 0.79 | CA1 (0.33) | — |
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-104813515-B | Negative electrode for electrical device, and electrical device using same | 日产自动车株式会社 | 2017-12-01 | — | — | CN | disclosed |