⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3381262 | 0.87 | — | — | |
| SCHEMBL10715596 | 0.86 | THRB (0.36) | — | |
| SCHEMBL1792811 | 0.84 | — | — | |
| SCHEMBL3381269 | 0.81 | — | — | |
| SCHEMBL10714799 | 0.74 | TSHR (0.45) | — | |
| SCHEMBL3382592 | 0.73 | THRB (0.38) | — | |
| SCHEMBL3383727 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL22361187 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL10713285 | 0.71 | ELANE (0.30) | — | |
| SCHEMBL3383733 | 0.71 | THRB (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0295821-A2 | Method for production of graft resin composition | NIPPON OIL AND FATS COMPANY, LIMITED (JP) | 1988-12-21 | — | — | EP | disclosed |