⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30726860 | 0.73 | CDC25A (0.32) | — | |
| SCHEMBL598716 | 0.73 | CDC25A (0.32) | — | |
| SCHEMBL4852467 | 0.70 | — | — | |
| SCHEMBL30831900 | 0.68 | — | — | |
| SCHEMBL17273342 | 0.66 | — | — | |
| SCHEMBL31296681 | 0.66 | — | — | |
| SCHEMBL349140 | 0.65 | ALDH1A1 (0.30) | — | |
| SCHEMBL31337849 | 0.64 | ALDH1A1 (0.30) | — | |
| SCHEMBL31357191 | 0.62 | — | — | |
| SCHEMBL1307789 | 0.61 | TNF (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 |
|---|---|---|---|---|---|---|---|
| CN-105810838-A | Organic light-emitting device | 三星显示有限公司 | 2016-07-27 | — | — | CN | disclosed |