⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3057906 | 0.97 | — | — | |
| SCHEMBL28087733 | 0.90 | TSHR (0.43) | — | |
| Acetic Acid SCHEMBL11155590 | 0.88 | PAM (0.41) | — | |
| Silicate SCHEMBL11616093 | 0.85 | TSHR (0.39) | — | |
| Acetic Acid SCHEMBL11150570 | 0.85 | PAM (0.40) | — | |
| SCHEMBL3182447 | 0.76 | TSHR (0.47) | — | |
| SCHEMBL6278211 | 0.76 | TSHR (0.47) | — | |
| SCHEMBL5223519 | 0.76 | TSHR (0.33) | — | |
| SCHEMBL29895487 | 0.75 | — | — | |
| SCHEMBL10495649 | 0.73 | TSHR (0.45) | — |
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-115775946-A | Secondary battery and electronic device | 东莞新能源科技有限公司 | 2023-03-10 | — | — | CN | disclosed |