⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL471960 | 0.77 | — | — | |
| SCHEMBL8386319 | 0.75 | — | — | |
| SCHEMBL471962 | 0.75 | — | — | |
| SCHEMBL3468913 | 0.73 | — | — | |
| SCHEMBL9787871 | 0.73 | SLC22A6 (0.40) | — | |
| SCHEMBL5381598 | 0.73 | — | — | |
| SCHEMBL471943 | 0.69 | SLC22A6 (0.39) | — | |
| SCHEMBL6633001 | 0.69 | LMNA (0.36) | — | |
| SCHEMBL5738162 | 0.69 | PTGS1 (0.38) | — | |
| SCHEMBL7667267 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0879826-A1 | POLYSACCHARIDE DERIVATIVES AND HYDRAULIC COMPOSITIONS | Kao Corporation (JP) | 1998-11-25 | — | — | EP | claimed |
| EP-0879826-A1 | POLYSACCHARIDE DERIVATIVES AND HYDRAULIC COMPOSITIONS | Kao Corporation (JP) | 1998-11-25 | — | — | EP | disclosed |