⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25878156 | 0.93 | ALK (0.32) | — | |
| SCHEMBL25878354 | 0.93 | ENPP3 (0.30) | — | |
| SCHEMBL24963837 | 0.92 | ENPP3 (0.32) | — | |
| SCHEMBL25878507 | 0.92 | MAPT (0.31) | — | |
| SCHEMBL25878516 | 0.91 | ALK (0.30) | — | |
| SCHEMBL25876301 | 0.91 | MAOA (0.30) | — | |
| SCHEMBL25878243 | 0.90 | ALK (0.31) | — | |
| SCHEMBL25877971 | 0.90 | ALK (0.30) | — | |
| SCHEMBL25878503 | 0.89 | MAPT (0.32) | — | |
| SCHEMBL25876927 | 0.89 | TDP1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023132694-A1 | ORGANIC LIGHT-EMITTING DEVICE | 주식회사 엘지화학 | 2023-07-13 | — | — | WO | disclosed |