⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21401792 | 0.83 | — | — | |
| SCHEMBL10039929 | 0.70 | — | — | |
| SCHEMBL24077392 | 0.68 | — | — | |
| SCHEMBL13572674 | 0.67 | — | — | |
| SCHEMBL12961740 | 0.67 | — | — | |
| SCHEMBL14317776 | 0.67 | — | — | |
| SCHEMBL22482620 | 0.65 | — | — | |
| SCHEMBL18654343 | 0.65 | — | — | |
| SCHEMBL12841028 | 0.64 | — | — | |
| SCHEMBL18843230 | 0.64 | MRGPRX2 (0.30) | — |
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-3522191-A1 | PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND OXIDE SEMICONDUCTOR ELECTRODE | FUJIFILM Corporation (JP) | 2019-08-07 | — | — | EP | disclosed |