⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28787774 | 0.78 | — | — | |
| SCHEMBL1366068 | 0.74 | — | — | |
| SCHEMBL5663834 | 0.72 | — | — | |
| SCHEMBL9341528 | 0.72 | — | — | |
| SCHEMBL7204706 | 0.71 | — | — | |
| SCHEMBL9770799 | 0.70 | CES2 (0.33) | — | |
| SCHEMBL620772 | 0.69 | — | — | |
| SCHEMBL28154160 | 0.67 | — | — | |
| Water SCHEMBL542921 | 0.67 | — | — | |
| SCHEMBL1366208 | 0.67 | SMN1; SMN2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1207256-C | Production of organic compounds which are low in fluoride | SOLVAY FLUOR & DERIVATE (DE) | 2005-06-22 | — | — | CN | disclosed |
| CN-1305446-A | production of organic compounds which are low in fluoride | SOLVAY FLUOR & DERIVATE (DE) | 2001-07-25 | — | — | CN | disclosed |