⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13706496 | 0.98 | — | — | |
| SCHEMBL13849716 | 0.95 | PDK2 (0.30) | — | |
| SCHEMBL17636184 | 0.87 | PDK2 (0.35) | — | |
| SCHEMBL12014684 | 0.86 | PDK2 (0.34) | — | |
| SCHEMBL13508975 | 0.86 | — | — | |
| SCHEMBL18780951 | 0.85 | PDK2 (0.31) | — | |
| SCHEMBL15002914 | 0.85 | PDK2 (0.36) | — | |
| SCHEMBL8406127 | 0.85 | PDK2 (0.34) | — | |
| SCHEMBL13511456 | 0.84 | — | — | |
| SCHEMBL13333721 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2110376-A1 | Novel compounds for electronic material and organic electronic device using the same | Gracel Display Inc. (KR) | 2009-10-21 | — | — | EP | disclosed |