⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL457364 | 0.78 | ALDH1A1 (0.44) | — | |
| SCHEMBL2750644 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL610112 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL27582469 | 0.68 | DPP4 (0.37) | — | |
| SCHEMBL2753738 | 0.68 | ALDH1A1 (0.39) | — | |
| SCHEMBL1368412 | 0.67 | ALDH1A1 (0.41) | — | |
| SCHEMBL2751156 | 0.67 | S100A4 (0.36) | — | |
| SCHEMBL2448737 | 0.66 | ALDH1A1 (0.39) | — | |
| SCHEMBL8024740 | 0.66 | ALDH1A1 (0.54) | — | |
| SCHEMBL21295779 | 0.66 | CYP2A6 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20020161174-A1 | Aromatic polymer phosphonic acid derivative and process for production the same | SUMITOMO CHEMICAL COMPANY, LIMITED | 2002-10-31 | — | — | US | disclosed |