⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29625595 | 0.87 | PGR (0.30) | — | |
| SCHEMBL29625621 | 0.87 | PER2 (0.35) | — | |
| SCHEMBL29627352 | 0.81 | NPSR1 (0.35) | — | |
| SCHEMBL26039932 | 0.77 | HTR1D (0.37) | — | |
| SCHEMBL31588106 | 0.76 | PGR (0.30) | — | |
| SCHEMBL29627292 | 0.76 | CYP2A6 (0.44) | — | |
| SCHEMBL29625631 | 0.75 | KIF11 (0.33) | — | |
| SCHEMBL29627313 | 0.75 | CYP2A6 (0.36) | — | |
| SCHEMBL29627306 | 0.74 | CYP2D6 (0.34) | — | |
| SCHEMBL13019025 | 0.74 | PPARG (0.30) | — |
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-2022131780-A1 | ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME | 솔루스첨단소재 주식회사 | 2022-06-23 | — | — | WO | disclosed |