⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26053351 | 1.00 | — | — | |
| SCHEMBL25579729 | 0.97 | — | — | |
| SCHEMBL26002034 | 0.97 | PDK2 (0.32) | — | |
| SCHEMBL26052644 | 0.95 | — | — | |
| SCHEMBL26052549 | 0.94 | PTGS2 (0.31) | — | |
| SCHEMBL26593433 | 0.93 | ALDH1A1 (0.33) | — | |
| SCHEMBL26052390 | 0.92 | HSD17B1 (0.35) | — | |
| SCHEMBL26001686 | 0.92 | HSD17B1 (0.32) | — | |
| SCHEMBL26593447 | 0.91 | ALDH1A1 (0.33) | — | |
| SCHEMBL26001968 | 0.91 | PTGS2 (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-2023162947-A1 | COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE | 出光興産株式会社 | 2023-08-31 | — | — | WO | disclosed |