⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17935660 | 0.89 | — | — | |
| SCHEMBL819979 | 0.84 | — | — | |
| SCHEMBL14641093 | 0.84 | — | — | |
| SCHEMBL27413976 | 0.83 | — | — | |
| SCHEMBL820577 | 0.83 | — | — | |
| SCHEMBL19445475 | 0.83 | — | — | |
| SCHEMBL24288718 | 0.83 | — | — | |
| SCHEMBL10184035 | 0.81 | — | — | |
| SCHEMBL13714258 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL20673187 | 0.78 | — | — |
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-114930597-A | Non-aqueous electrolyte solution for lithium secondary battery and lithium secondary battery comprising same | 株式会社LG新能源 | 2022-08-19 | — | — | CN | disclosed |