⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10009434 | 0.90 | — | — | |
| SCHEMBL13024427 | 0.82 | PDK2 (0.33) | — | |
| SCHEMBL13487050 | 0.80 | PDK2 (0.31) | — | |
| SCHEMBL10009512 | 0.79 | BRD4 (0.32) | — | |
| SCHEMBL13026286 | 0.79 | — | — | |
| SCHEMBL13487111 | 0.78 | CYP17A1 (0.31) | — | |
| SCHEMBL13487359 | 0.77 | PDK2 (0.31) | — | |
| SCHEMBL13026268 | 0.77 | MEN1 (0.35) | — | |
| SCHEMBL13026287 | 0.77 | ACHE (0.35) | — | |
| SCHEMBL13026290 | 0.77 | ACACA (0.31) | — |
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-2010151006-A1 | NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME | DOW ADVANCED DISPLAY MATERIALS, LTD. (KR) | 2010-12-29 | — | — | WO | disclosed |