⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25733612 | 0.81 | ALDH1A1 (0.35) | — | |
| SCHEMBL19285906 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL23393456 | 0.70 | HSD17B1 (0.33) | — | |
| SCHEMBL13271324 | 0.70 | RELA (0.38) | — | |
| SCHEMBL19466009 | 0.69 | TP53 (0.33) | — | |
| SCHEMBL22404063 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL12902841 | 0.69 | — | — | |
| SCHEMBL22422023 | 0.68 | ALDH1A1 (0.34) | — | |
| SCHEMBL29342192 | 0.68 | MEN1 (0.38) | — | |
| SCHEMBL24631915 | 0.67 | APP (0.41) | — |
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-3490005-A1 | LIGHT-EMITTING DEVICE | Samsung Display Co., Ltd. (KR) | 2019-05-29 | — | — | EP | disclosed |