⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13509009 | 0.95 | TDP1 (0.31) | — | |
| SCHEMBL13508952 | 0.89 | — | — | |
| SCHEMBL13509008 | 0.88 | — | — | |
| SCHEMBL13508925 | 0.87 | — | — | |
| SCHEMBL13508924 | 0.87 | — | — | |
| SCHEMBL13508052 | 0.83 | ALDH1A1 (0.37) | — | |
| SCHEMBL26587983 | 0.81 | AHR (0.32) | — | |
| SCHEMBL25044347 | 0.81 | TNKS (0.31) | — | |
| SCHEMBL13511737 | 0.81 | — | — | |
| SCHEMBL20341901 | 0.81 | SMN1; SMN2 (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 |
|---|---|---|---|---|---|---|---|
| US-20100032658-A1 | Novel organic electroluminescent compounds and organic electroluminescent device using the same | GRACEL DISPLAY INC. (KR) | 2010-02-11 | — | — | US | disclosed |