⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6450350 | 0.75 | — | — | |
| SCHEMBL28650795 | 0.74 | — | — | |
| SCHEMBL487315 | 0.74 | — | — | |
| SCHEMBL9862028 | 0.74 | — | — | |
| SCHEMBL28392603 | 0.73 | — | — | |
| SCHEMBL6669626 | 0.70 | — | — | |
| SCHEMBL28847358 | 0.69 | — | — | |
| SCHEMBL5952074 | 0.69 | — | — | |
| SCHEMBL525333 | 0.69 | TSHR (0.39) | — | |
| SCHEMBL163658 | 0.68 | — | — |
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-105789688-B | Electrolyte solution and lithium ion secondary battery | 积水化学工业株式会社 | 2020-05-19 | — | — | CN | disclosed |