⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10072420 | 0.79 | CYP1A2 (0.39) | — | |
| SCHEMBL3672955 | 0.77 | TDP1 (0.32) | — | |
| SCHEMBL1102437 | 0.74 | GABRA1 (0.34) | — | |
| SCHEMBL753503 | 0.70 | KDM4E (0.30) | — | |
| SCHEMBL22707369 | 0.68 | — | — | |
| SCHEMBL22705951 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL22705956 | 0.67 | PRKDC (0.32) | — | |
| SCHEMBL22705952 | 0.67 | — | — | |
| SCHEMBL20078693 | 0.67 | — | — | |
| SCHEMBL22707121 | 0.66 | — | — |
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-2141214-A2 | Novel organic electroluminescent compounds and organic electroluminescent device using the same | Gracel Display Inc. (KR) | 2010-01-06 | — | — | EP | disclosed |