⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5005604 | 0.70 | — | — | |
| SCHEMBL8458391 | 0.62 | — | — | |
| SCHEMBL311842 | 0.56 | — | — | |
| SCHEMBL27292921 | 0.56 | — | — | |
| SCHEMBL13823447 | 0.55 | — | — | |
| SCHEMBL15752196 | 0.55 | — | — | |
| SCHEMBL9998923 | 0.53 | — | — | |
| SCHEMBL8051276 | 0.50 | — | — | |
| SCHEMBL2241228 | 0.49 | ALDH1A1 (0.50) | — | |
| SCHEMBL25094679 | 0.46 | — | — |
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-117305377-A | Lignin priority-based biomass grading utilization method | 浙江大学 | 2023-12-29 | — | — | CN | disclosed |