⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6414141 | 0.78 | — | — | |
| SCHEMBL16816984 | 0.69 | — | — | |
| SCHEMBL13068996 | 0.68 | — | — | |
| SCHEMBL19011417 | 0.68 | ALDH1A1 (0.35) | — | |
| SCHEMBL6899661 | 0.66 | — | — | |
| SCHEMBL280626 | 0.66 | — | — | |
| SCHEMBL23425494 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL30933578 | 0.64 | — | — | |
| SCHEMBL12198558 | 0.64 | — | — | |
| Formaldehyde SCHEMBL16816973 | 0.63 | — | — |
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-3560968-A1 | COMPOSITION, CURED PRODUCT AND LAMINATE | DIC Corporation (JP) | 2019-10-30 | — | — | EP | disclosed |