⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20404836 | 0.85 | PDK2 (0.33) | — | |
| SCHEMBL20407191 | 0.82 | KDM4E (0.32) | — | |
| SCHEMBL23654656 | 0.79 | — | — | |
| SCHEMBL20405174 | 0.78 | PDK2 (0.34) | — | |
| SCHEMBL20404840 | 0.76 | PDK2 (0.34) | — | |
| SCHEMBL20407020 | 0.74 | — | — | |
| SCHEMBL20405039 | 0.74 | MCL1 (0.32) | — | |
| SCHEMBL20404908 | 0.72 | F2 (0.31) | — | |
| SCHEMBL20406954 | 0.72 | — | — | |
| SCHEMBL20407116 | 0.70 | PDK2 (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 |
|---|---|---|---|---|---|---|---|
| EP-3351536-A1 | ORGANIC LIGHT-EMITTING DEVICE | LG Chem, Ltd. (KR) | 2018-07-25 | — | — | EP | disclosed |