⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24772183 | 0.94 | RXRA (0.35) | — | |
| SCHEMBL24771784 | 0.92 | RXRA (0.35) | — | |
| SCHEMBL22949283 | 0.91 | RXRA (0.33) | — | |
| SCHEMBL22949046 | 0.90 | — | — | |
| SCHEMBL24084650 | 0.89 | RXRA (0.36) | — | |
| SCHEMBL22948324 | 0.89 | — | — | |
| SCHEMBL24771588 | 0.88 | — | — | |
| SCHEMBL24772659 | 0.86 | RXRA (0.36) | — | |
| SCHEMBL23448252 | 0.85 | RXRA (0.35) | — | |
| SCHEMBL22938353 | 0.85 | RXRA (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3901158-A2 | POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME | LG Chem, Ltd. (KR) | 2021-10-27 | — | — | EP | disclosed |
| WO-2021020928-A2 | POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME | 주식회사 엘지화학 | 2021-02-04 | — | — | WO | disclosed |