⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24005331 | 0.86 | — | — | |
| SCHEMBL23445012 | 0.83 | TP53 (0.31) | — | |
| SCHEMBL23446797 | 0.82 | RXRA (0.32) | — | |
| SCHEMBL23445599 | 0.77 | RXRA (0.33) | — | |
| SCHEMBL23446802 | 0.73 | — | — | |
| SCHEMBL23442476 | 0.70 | RXRA (0.34) | — | |
| SCHEMBL23446732 | 0.70 | ACLY (0.31) | — | |
| SCHEMBL23442801 | 0.68 | RXRA (0.37) | — | |
| SCHEMBL23439883 | 0.68 | RXRA (0.33) | — | |
| SCHEMBL23446395 | 0.68 | TP53 (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-3919500-A1 | COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | LG CHEM, LTD. (KR) | 2021-12-08 | — | — | EP | disclosed |