⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13487130 | 0.92 | TYMS (0.31) | — | |
| SCHEMBL13487199 | 0.92 | MEN1 (0.31) | — | |
| SCHEMBL13487390 | 0.91 | — | — | |
| SCHEMBL13487303 | 0.90 | MEN1 (0.33) | — | |
| SCHEMBL13487306 | 0.90 | — | — | |
| SCHEMBL13488082 | 0.89 | — | — | |
| SCHEMBL13487680 | 0.89 | — | — | |
| SCHEMBL13487302 | 0.88 | AKT1 (0.38) | — | |
| SCHEMBL13427797 | 0.87 | PDE6D (0.30) | — | |
| SCHEMBL13487300 | 0.87 | MET (0.30) | — |
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-20100045170-A1 | Novel organic electroluminescent compounds and organic electroluminescent device using the same | GRACEL DISPLAY INC. (KR) | 2010-02-25 | — | — | US | disclosed |