⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13086935 | 0.94 | — | — | |
| SCHEMBL13487143 | 0.89 | — | — | |
| SCHEMBL13487563 | 0.86 | PDK2 (0.30) | — | |
| SCHEMBL13487938 | 0.86 | PDK2 (0.35) | — | |
| SCHEMBL13488171 | 0.86 | PDK2 (0.32) | — | |
| SCHEMBL13487402 | 0.85 | — | — | |
| SCHEMBL13487768 | 0.83 | PDK2 (0.30) | — | |
| SCHEMBL13487334 | 0.83 | — | — | |
| SCHEMBL13487070 | 0.83 | — | — | |
| SCHEMBL13487214 | 0.82 | MCL1 (0.31) | — |
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-2010114253-A2 | NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME | DOW ADVANCED DISPLAY MATERIALS,LTD. (KR) | 2010-10-07 | — | — | WO | disclosed |