⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12983644 | 0.84 | CYP1A1 (0.36) | — | |
| SCHEMBL12982028 | 0.83 | PLA2G2A (0.32) | — | |
| SCHEMBL12984565 | 0.79 | AHR (0.35) | — | |
| SCHEMBL24936941 | 0.78 | — | — | |
| SCHEMBL27326862 | 0.77 | CYP1A1 (0.31) | — | |
| SCHEMBL12982040 | 0.77 | — | — | |
| SCHEMBL20363573 | 0.76 | CYP2B6 (0.32) | — | |
| SCHEMBL24876999 | 0.75 | CA1 (0.38) | — | |
| SCHEMBL20109932 | 0.75 | CA1 (0.40) | — | |
| SCHEMBL26404262 | 0.75 | ALOX5 (0.48) | — |
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-2023282676-A1 | COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 주식회사 엘지화학 | 2023-01-12 | — | — | WO | disclosed |