⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22852992 | 0.95 | KIF11 (0.31) | — | |
| SCHEMBL25490707 | 0.88 | LMNA (0.32) | — | |
| SCHEMBL24237832 | 0.87 | ALOX5 (0.31) | — | |
| SCHEMBL23350708 | 0.87 | — | — | |
| SCHEMBL23306755 | 0.87 | — | — | |
| SCHEMBL21758022 | 0.87 | LMNA (0.30) | — | |
| SCHEMBL24237989 | 0.87 | LMNA (0.30) | — | |
| SCHEMBL23306747 | 0.87 | — | — | |
| SCHEMBL24237978 | 0.86 | ALDH1A1 (0.32) | — | |
| SCHEMBL25028847 | 0.85 | RXRA (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020040298-A1 | ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, ILLUMINATION DEVICE, LUMINESCENT LAYER FORMING COMPOSITION, AND COMPOUND | 学校法人関西学院 | 2020-02-27 | — | — | WO | disclosed |