⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11916890 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL18900770 | 0.77 | CYP2C19 (0.39) | — | |
| SCHEMBL13103381 | 0.76 | ALDH1A1 (0.41) | — | |
| SCHEMBL11916891 | 0.76 | ALDH1A1 (0.41) | — | |
| SCHEMBL12888121 | 0.76 | ALDH1A1 (0.41) | — | |
| SCHEMBL19675080 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL12962390 | 0.73 | LMNA (0.32) | — | |
| SCHEMBL14165104 | 0.72 | CYP2C19 (0.35) | — | |
| SCHEMBL14277873 | 0.72 | ALDH1A1 (0.37) | — | |
| SCHEMBL17885890 | 0.72 | ALDH1A1 (0.37) | — |
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-3352185-B1 | PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, DYE COMPOSITION, AND OXIDE SEMICONDUCTOR ELECTRODE | FUJIFILM CORP (JP) | 2021-10-27 | — | — | EP | disclosed |