⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL319872 | 0.97 | — | — | |
| SCHEMBL11191983 | 0.97 | — | — | |
| SCHEMBL17889056 | 0.79 | LMNA (0.31) | — | |
| SCHEMBL10844987 | 0.77 | LMNA (0.50) | — | |
| SCHEMBL29273361 | 0.77 | LMNA (0.30) | — | |
| SCHEMBL11325833 | 0.77 | TSHR (0.39) | — | |
| SCHEMBL16768480 | 0.77 | TSHR (0.39) | — | |
| SCHEMBL1072932 | 0.76 | — | — | |
| SCHEMBL27832529 | 0.75 | ALDH1A1 (0.39) | — | |
| SCHEMBL10947422 | 0.72 | — | — |
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-117903001-A | Partial fluoro-nitrile electrolyte material | 湖南科技大学 | 2024-04-19 | — | — | CN | disclosed |