⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20799730 | 0.82 | PTGS1 (0.31) | — | |
| SCHEMBL25443270 | 0.78 | — | — | |
| SCHEMBL13206389 | 0.71 | — | — | |
| SCHEMBL28086930 | 0.71 | — | — | |
| SCHEMBL22337787 | 0.70 | — | — | |
| SCHEMBL26793929 | 0.70 | — | — | |
| SCHEMBL19881957 | 0.70 | — | — | |
| SCHEMBL17578579 | 0.69 | TRPA1 (0.31) | — | |
| SCHEMBL22954103 | 0.69 | — | — | |
| SCHEMBL25839370 | 0.69 | — | — |
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-3683208-A1 | COMPOUND, COATING COMPOSITION COMPRISING SAME, AND ORGANIC LIGHT-EMITTING DEVICE | LG CHEM, LTD. (KR) | 2020-07-22 | — | — | EP | disclosed |