⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13371962 | 0.88 | RELA (0.32) | — | |
| SCHEMBL13371981 | 0.87 | PDK2 (0.30) | — | |
| SCHEMBL13358342 | 0.86 | — | — | |
| SCHEMBL23136841 | 0.86 | — | — | |
| SCHEMBL13372144 | 0.85 | PDK2 (0.30) | — | |
| SCHEMBL13760015 | 0.85 | PDK2 (0.32) | — | |
| SCHEMBL13371961 | 0.84 | — | — | |
| SCHEMBL13371980 | 0.84 | TRPV1 (0.31) | — | |
| SCHEMBL13371929 | 0.84 | RELA (0.33) | — | |
| SCHEMBL13372124 | 0.83 | — | — |
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-2010058995-A1 | ELECTROLUMINESCENT DEVICE USING THE ELECTROLUMINESCENT COMPOUNDS | GRACEL DISPLAY INC. (KR) | 2010-05-27 | — | — | WO | disclosed |