⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9958272 | 0.88 | — | — | |
| Propene SCHEMBL15103060 | 0.75 | PTGS1 (0.30) | — | |
| Ethylene SCHEMBL709228 | 0.68 | CA5A (0.39) | — | |
| SCHEMBL34406 | 0.67 | — | — | |
| SCHEMBL634628 | 0.67 | — | — | |
| SCHEMBL29261169 | 0.66 | PTGS1 (0.32) | — | |
| SCHEMBL27361461 | 0.65 | — | — | |
| SCHEMBL29170949 | 0.65 | — | — | |
| Ethylene SCHEMBL706793 | 0.65 | CA5A (0.36) | — | |
| Propane SCHEMBL28833415 | 0.65 | CA5A (0.36) | — |
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-118104028-A | Nonaqueous electrolyte, nonaqueous electrolyte battery and compound | 中央硝子株式会社 | 2024-05-28 | — | — | CN | disclosed |