⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL472156 | 0.95 | — | — | |
| SCHEMBL8053446 | 0.78 | — | — | |
| SCHEMBL4117100 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL142952 | 0.75 | OPRM1 (0.33) | — | |
| SCHEMBL3639487 | 0.75 | OPRM1 (0.33) | — | |
| Bromide SCHEMBL8028722 | 0.73 | OPRM1 (0.32) | — | |
| SCHEMBL2830814 | 0.73 | TSHR (0.38) | — | |
| SCHEMBL8470281 | 0.73 | — | — | |
| SCHEMBL31500388 | 0.73 | — | — | |
| SCHEMBL2827730 | 0.71 | OPRM1 (0.41) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110873703-A | Sugar chip with polymer skeleton and preparation method and application thereof | 中国海洋大学 | 2020-03-10 | — | — | CN | claimed |
| CN-110873703-A | Sugar chip with polymer skeleton and preparation method and application thereof | 中国海洋大学 | 2020-03-10 | — | — | CN | disclosed |