⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23239033 | 0.83 | NISCH (0.31) | — | |
| SCHEMBL22809321 | 0.75 | MEN1 (0.30) | — | |
| SCHEMBL26569460 | 0.73 | ALOX5 (0.39) | — | |
| SCHEMBL24466087 | 0.73 | — | — | |
| SCHEMBL15038400 | 0.72 | MGLL (0.36) | — | |
| SCHEMBL19393573 | 0.72 | — | — | |
| SCHEMBL15038389 | 0.72 | MGLL (0.38) | — | |
| SCHEMBL13292373 | 0.72 | BACE1 (0.38) | — | |
| SCHEMBL25823264 | 0.71 | MCL1 (0.43) | — | |
| SCHEMBL15038409 | 0.70 | PTGER1 (0.39) | — |
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-2021070964-A1 | COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE | 出光興産株式会社 | 2021-04-15 | — | — | WO | disclosed |