⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2452189 | 0.82 | — | — | |
| SCHEMBL6064265 | 0.81 | — | — | |
| SCHEMBL2454665 | 0.77 | — | — | |
| SCHEMBL21357886 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL29052419 | 0.70 | — | — | |
| SCHEMBL2453786 | 0.70 | — | — | |
| SCHEMBL28878816 | 0.68 | — | — | |
| SCHEMBL29067056 | 0.68 | CYP3A4 (0.33) | — | |
| SCHEMBL29289474 | 0.67 | — | — | |
| SCHEMBL1225060 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3187547-B1 | CURABLE COMPOSITION, CURED PRODUCT, METHOD FOR USING CURABLE COMPOSITION, AND OPTICAL DEVICE | LINTEC CORP (JP) | 2018-12-05 | — | — | EP | disclosed |