⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3465123 | 0.81 | FFAR3 (0.35) | — | |
| SCHEMBL1683780 | 0.81 | FFAR3 (0.35) | — | |
| SCHEMBL39652 | 0.81 | FFAR3 (0.35) | — | |
| SCHEMBL19734837 | 0.81 | — | — | |
| SCHEMBL30953894 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL29178983 | 0.79 | ALDH1A1 (0.33) | — | |
| Potassium SCHEMBL30810598 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL30810580 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL977658 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL29044236 | 0.79 | ALDH1A1 (0.33) | — |
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-3508538-A1 | INK-JET INK COMPOSITION AND IMAGE FORMATION METHOD | FUJIFILM Corporation (JP) | 2019-07-10 | — | — | EP | disclosed |