⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1472908 | 0.85 | ALDH1A1 (0.33) | — | |
| SCHEMBL15299913 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL6836714 | 0.78 | — | — | |
| Methacrylic Acid SCHEMBL2397358 | 0.72 | — | — | |
| SCHEMBL5698932 | 0.71 | — | — | |
| Methacrylic Acid SCHEMBL6836857 | 0.70 | — | — | |
| SCHEMBL15681002 | 0.66 | — | — | |
| SCHEMBL1833722 | 0.65 | — | — | |
| SCHEMBL5458964 | 0.63 | — | — | |
| SCHEMBL6474918 | 0.61 | ALDH1A1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4488243-A1 | ACID-STABLE GLASS FILLERS AND SELF-ADHESIVE DENTAL COMPOSITE CEMENTS CONTAINING SAME HAVING GOOD TRANSPARENCY | Ivoclar Vivadent AG (LI) | 2025-01-08 | — | — | EP | claimed |