⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20405533 | 0.99 | DHFR (0.30) | — | |
| SCHEMBL20405009 | 0.89 | KDM4E (0.30) | — | |
| SCHEMBL20405181 | 0.87 | DHFR (0.33) | — | |
| SCHEMBL20405513 | 0.85 | KDM4E (0.30) | — | |
| SCHEMBL23654272 | 0.79 | PDK2 (0.33) | — | |
| SCHEMBL18821316 | 0.79 | KDM4E (0.35) | — | |
| SCHEMBL23655106 | 0.78 | — | — | |
| SCHEMBL18821318 | 0.78 | MEN1 (0.35) | — | |
| SCHEMBL23655251 | 0.76 | KDM4E (0.38) | — | |
| SCHEMBL18819291 | 0.76 | AKT1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3351536-B1 | ORGANIC LIGHT-EMITTING DEVICE | LG CHEMICAL LTD (KR) | 2021-07-21 | — | — | EP | disclosed |
| EP-3351537-A1 | COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | LG Chem, Ltd. (KR) | 2018-07-25 | — | — | EP | disclosed |