⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24679112 | 0.93 | — | — | |
| SCHEMBL24679666 | 0.93 | ALK (0.31) | — | |
| SCHEMBL23659487 | 0.92 | MCL1 (0.31) | — | |
| SCHEMBL23659459 | 0.91 | — | — | |
| SCHEMBL24680525 | 0.90 | — | — | |
| SCHEMBL24679000 | 0.88 | — | — | |
| SCHEMBL24679651 | 0.87 | — | — | |
| SCHEMBL25879153 | 0.84 | — | — | |
| SCHEMBL22132260 | 0.84 | — | — | |
| SCHEMBL21959243 | 0.82 | — | — |
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-2021145429-A1 | COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE | 出光興産株式会社 | 2021-07-22 | — | — | WO | disclosed |