⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24154867 | 0.76 | AKT1 (0.35) | — | |
| SCHEMBL24771380 | 0.76 | EGFR (0.30) | — | |
| SCHEMBL24154745 | 0.72 | KDM4E (0.34) | — | |
| SCHEMBL24104506 | 0.68 | TSHR (0.33) | — | |
| SCHEMBL26047154 | 0.67 | KDM4E (0.32) | — | |
| SCHEMBL23332442 | 0.66 | TUBB4A (0.41) | — | |
| SCHEMBL17691925 | 0.65 | ALDH1A1 (0.52) | — | |
| SCHEMBL22186310 | 0.65 | ALDH1A1 (0.52) | — | |
| SCHEMBL23633671 | 0.64 | GSTP1 (0.48) | — | |
| SCHEMBL23759548 | 0.64 | HPRT1 (0.54) | — |
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-2021261962-A1 | ORGANIC LIGHT-EMITTING DEVICE | 주식회사 엘지화학 | 2021-12-30 | — | — | WO | disclosed |