⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20405289 | 0.72 | — | — | |
| SCHEMBL20406954 | 0.72 | — | — | |
| SCHEMBL23654272 | 0.63 | PDK2 (0.33) | — | |
| SCHEMBL20405181 | 0.59 | DHFR (0.33) | — | |
| SCHEMBL14152506 | 0.58 | PDK2 (0.40) | — | |
| SCHEMBL19768647 | 0.57 | ALDH1A1 (0.34) | — | |
| SCHEMBL19768635 | 0.56 | PDK2 (0.35) | — | |
| SCHEMBL19221242 | 0.56 | PDK2 (0.43) | — | |
| SCHEMBL19768658 | 0.56 | PDK2 (0.34) | — | |
| SCHEMBL19768650 | 0.56 | PDK2 (0.32) | — |
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-3351537-B1 | COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | LG CHEMICAL LTD (KR) | 2023-01-18 | — | — | EP | disclosed |