⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29170211 | 0.78 | — | — | |
| SCHEMBL29155108 | 0.73 | — | — | |
| SCHEMBL8821777 | 0.73 | — | — | |
| SCHEMBL2293102 | 0.73 | TSHR (0.39) | — | |
| SCHEMBL7235027 | 0.73 | ALDH1A1 (0.48) | — | |
| SCHEMBL7593397 | 0.73 | CA1 (0.46) | — | |
| Lithium Ion SCHEMBL28518085 | 0.71 | — | — | |
| SCHEMBL188295 | 0.69 | CA1 (0.37) | — | |
| Lithium Ion SCHEMBL8821830 | 0.69 | — | — | |
| SCHEMBL29155217 | 0.69 | — | — |
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-109935904-B | Electrolyte additive, lithium secondary battery electrolyte and lithium secondary battery | 华为技术有限公司 | 2021-08-20 | — | — | CN | disclosed |