⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25848313 | 0.95 | PDK2 (0.34) | — | |
| SCHEMBL25848888 | 0.92 | KDM4E (0.34) | — | |
| SCHEMBL25848426 | 0.90 | DRD1 (0.33) | — | |
| SCHEMBL25867354 | 0.89 | KDM4E (0.35) | — | |
| SCHEMBL25848164 | 0.89 | KDM4E (0.35) | — | |
| SCHEMBL25863798 | 0.89 | KDM4E (0.35) | — | |
| SCHEMBL25867312 | 0.89 | KDM4E (0.35) | — | |
| SCHEMBL25857039 | 0.88 | MEN1 (0.38) | — | |
| SCHEMBL25863797 | 0.88 | PDK2 (0.33) | — | |
| SCHEMBL25848528 | 0.87 | KDM4E (0.33) | — |
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-2023120714-A1 | COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE | 出光興産株式会社 | 2023-06-29 | — | — | WO | disclosed |