⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23893707 | 0.85 | — | — | |
| SCHEMBL25733612 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL29342192 | 0.72 | MEN1 (0.38) | — | |
| SCHEMBL18400777 | 0.69 | NPSR1 (0.36) | — | |
| SCHEMBL17232281 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL23393456 | 0.68 | HSD17B1 (0.33) | — | |
| SCHEMBL24631915 | 0.67 | APP (0.41) | — | |
| SCHEMBL11932372 | 0.67 | TRPM8 (0.40) | — | |
| SCHEMBL23894681 | 0.66 | MAPK9 (0.37) | — | |
| SCHEMBL19285906 | 0.66 | ALDH1A1 (0.35) | — |
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-3540803-A2 | ORGANIC LIGHT-EMITTING DEVICE | Samsung Display Co., Ltd. (KR) | 2019-09-18 | — | — | EP | disclosed |