⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24914285 | 0.89 | — | — | |
| SCHEMBL24914114 | 0.77 | — | — | |
| SCHEMBL20404871 | 0.74 | PDK2 (0.33) | — | |
| SCHEMBL20407255 | 0.67 | — | — | |
| SCHEMBL23655106 | 0.66 | — | — | |
| SCHEMBL20407020 | 0.64 | — | — | |
| SCHEMBL20404908 | 0.64 | F2 (0.31) | — | |
| SCHEMBL20404839 | 0.62 | F2 (0.32) | — | |
| SCHEMBL22061211 | 0.61 | HPGD (0.46) | — | |
| SCHEMBL17117647 | 0.61 | BCAT2 (0.49) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3351536-B1 | ORGANIC LIGHT-EMITTING DEVICE | LG CHEMICAL LTD (KR) | 2021-07-21 | — | — | EP | disclosed |