⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4069386 | 0.79 | — | — | |
| SCHEMBL10291890 | 0.77 | CYP2C9 (0.39) | — | |
| SCHEMBL215050 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL4070075 | 0.72 | ALDH1A1 (0.37) | — | |
| SCHEMBL28172935 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL473647 | 0.68 | — | — | |
| SCHEMBL10296999 | 0.66 | PRCP (0.33) | — | |
| SCHEMBL26462174 | 0.64 | ALDH1A1 (0.39) | — | |
| SCHEMBL21953454 | 0.64 | — | — | |
| SCHEMBL15870723 | 0.64 | — | — |
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-2966701-A1 | ORGANIC THIN FILM, AND ORGANIC SEMICONDUCTOR DEVICE AND ORGANIC TRANSISTOR USING SAME | DIC Corporation (JP) | 2016-01-13 | — | — | EP | disclosed |