⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22916259 | 0.98 | KDM4E (0.30) | — | |
| SCHEMBL22916424 | 0.97 | KDM4E (0.31) | — | |
| SCHEMBL22916425 | 0.97 | KDM4E (0.31) | — | |
| SCHEMBL22916287 | 0.97 | KDM4E (0.31) | — | |
| SCHEMBL22916451 | 0.97 | KDM4E (0.31) | — | |
| SCHEMBL22916299 | 0.97 | KDM4E (0.31) | — | |
| SCHEMBL22916461 | 0.97 | KDM4E (0.31) | — | |
| SCHEMBL22916486 | 0.95 | BACE1 (0.30) | — | |
| SCHEMBL22916375 | 0.95 | BACE1 (0.30) | — | |
| SCHEMBL22916352 | 0.95 | KDM4E (0.32) | — |
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-2021015603-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2021-01-28 | — | — | WO | disclosed |