⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15002779 | 0.97 | PDK2 (0.31) | — | |
| SCHEMBL15002752 | 0.97 | PDK2 (0.31) | — | |
| SCHEMBL15002836 | 0.97 | PDK2 (0.31) | — | |
| SCHEMBL15002782 | 0.96 | — | — | |
| SCHEMBL15002941 | 0.95 | PDK2 (0.31) | — | |
| SCHEMBL15002862 | 0.95 | PDK2 (0.30) | — | |
| SCHEMBL15002740 | 0.94 | PPARG (0.31) | — | |
| SCHEMBL15002860 | 0.94 | PPARG (0.31) | — | |
| SCHEMBL15002958 | 0.94 | — | — | |
| SCHEMBL15002677 | 0.94 | PPARG (0.32) | — |
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-2013081410-A1 | ANTHRACENE DERIVATIVES AND ORGANIC ELECTROLUMINESCENCE DEVICE USING SAME | 주식회사 두산 (KR) | 2013-06-06 | — | — | WO | disclosed |