⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5244950 | 0.69 | — | — | |
| SCHEMBL30304147 | 0.67 | — | — | |
| SCHEMBL5248936 | 0.66 | — | — | |
| SCHEMBL5243931 | 0.66 | — | — | |
| SCHEMBL5251318 | 0.62 | CSNK2A1 (0.32) | — | |
| SCHEMBL5247938 | 0.59 | CSNK2A1 (0.31) | — | |
| SCHEMBL5246601 | 0.59 | MEN1 (0.31) | — | |
| SCHEMBL9672460 | 0.59 | TSHR (0.52) | — | |
| SCHEMBL2234460 | 0.58 | — | — | |
| SCHEMBL5244980 | 0.58 | — | — |
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-2010068000-A2 | ARYL AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME | 주식회사 두산 (KR) | 2010-06-17 | — | — | WO | disclosed |