⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3117258 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL27609543 | 0.90 | — | — | |
| SCHEMBL8022701 | 0.65 | — | — | |
| SCHEMBL490333 | 0.63 | — | — | |
| SCHEMBL426079 | 0.57 | — | — | |
| SCHEMBL11371754 | 0.57 | — | — | |
| SCHEMBL15484301 | 0.56 | — | — | |
| SCHEMBL1468768 | 0.47 | — | — | |
| SCHEMBL39444 | 0.45 | TSHR (0.57) | — | |
| SCHEMBL341533 | 0.45 | ALDH1A1 (0.67) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1591098-B1 | Cationically curable composition for dental use | TOKUYAMA CORP (JP) | 2008-08-13 | — | — | EP | disclosed |
| US-7365106-B2 | Cationically curable composition for dental use | TOKUYAMA CORPORATION (JP) | 2008-04-29 | — | — | US | disclosed |
| US-20050250868-A1 | Cationically curable composition for dental use | TOKUYAMA CORPORATION (JP) | 2005-11-10 | — | — | US | disclosed |
| EP-1591098-A1 | Cationically curable composition for dental use | TOKUYAMA CORPORATION (JP) | 2005-11-02 | — | — | EP | disclosed |