⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23439061 | 0.91 | ALDH1A1 (0.30) | — | |
| SCHEMBL23439440 | 0.87 | RXRA (0.31) | — | |
| SCHEMBL23439702 | 0.87 | RXRA (0.34) | — | |
| SCHEMBL23439692 | 0.87 | RXRA (0.30) | — | |
| SCHEMBL23439374 | 0.87 | ALDH1A1 (0.30) | — | |
| SCHEMBL23439379 | 0.86 | — | — | |
| SCHEMBL22936529 | 0.85 | ALDH1A1 (0.30) | — | |
| SCHEMBL23438800 | 0.84 | RXRA (0.32) | — | |
| SCHEMBL23439344 | 0.84 | ALDH1A1 (0.30) | — | |
| SCHEMBL23438787 | 0.84 | RXRA (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021107711-A1 | POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME | 주식회사 엘지화학 | 2021-06-03 | — | — | WO | disclosed |