⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1664609 | 0.79 | PTGS1 (0.30) | — | |
| SCHEMBL4808992 | 0.76 | PTGS1 (0.31) | — | |
| SCHEMBL28362780 | 0.75 | PTGS1 (0.31) | — | |
| SCHEMBL3300364 | 0.74 | — | — | |
| SCHEMBL4804511 | 0.74 | — | — | |
| SCHEMBL1665119 | 0.70 | PTGS1 (0.34) | — | |
| SCHEMBL845022 | 0.68 | PTGS1 (0.33) | — | |
| SCHEMBL13640011 | 0.67 | PTGS1 (0.32) | — | |
| SCHEMBL612718 | 0.67 | PTGS1 (0.32) | — | |
| SCHEMBL30688751 | 0.67 | PTGS1 (0.32) | — |
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-2138501-B1 | Functional silane compound, coating solution, and method for manufacturing plastic lens | HOYA CORP (JP) | 2014-08-13 | — | — | EP | disclosed |
| EP-2138501-A2 | Functional silane compound, coating solution, and method for manufacturing plastic lens | Hoya Corporation (JP) | 2009-12-30 | — | — | EP | disclosed |