⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10507185 | 0.82 | ALDH1A1 (0.50) | — | |
| SCHEMBL5086070 | 0.80 | — | — | |
| SCHEMBL330010 | 0.80 | — | — | |
| SCHEMBL27718556 | 0.80 | — | — | |
| SCHEMBL7562293 | 0.78 | ALDH1A1 (0.45) | — | |
| SCHEMBL28407238 | 0.78 | ALDH1A1 (0.45) | — | |
| SCHEMBL1615114 | 0.76 | SLC7A5 (0.46) | — | |
| SCHEMBL27671074 | 0.76 | SLC7A5 (0.46) | — | |
| SCHEMBL28053140 | 0.76 | SLC7A5 (0.46) | — | |
| SCHEMBL1582903 | 0.74 | TSHR (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111286041-A | Demethylated lignin, preparation method thereof and application thereof in phenolic resin adhesive | 南京工业大学 | 2020-06-16 | — | — | CN | disclosed |