⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21587136 | 0.98 | — | — | |
| SCHEMBL21587218 | 0.94 | — | — | |
| SCHEMBL12954843 | 0.90 | PDK2 (0.30) | — | |
| SCHEMBL21587215 | 0.89 | — | — | |
| SCHEMBL14427829 | 0.88 | — | — | |
| SCHEMBL19789079 | 0.87 | MEN1 (0.36) | — | |
| SCHEMBL20714289 | 0.87 | MEN1 (0.36) | — | |
| SCHEMBL24283398 | 0.84 | PDK2 (0.34) | — | |
| SCHEMBL19752136 | 0.84 | — | — | |
| SCHEMBL25796962 | 0.83 | PDK2 (0.33) | — |
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-3579292-B1 | ORGANIC LIGHT EMITTING DEVICE | LG CHEMICAL LTD (KR) | 2020-08-05 | — | — | EP | disclosed |