⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17168502 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL20627486 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL20626994 | 0.67 | — | — | |
| SCHEMBL23638095 | 0.67 | PDK2 (0.31) | — | |
| SCHEMBL17168507 | 0.64 | PDK2 (0.31) | — | |
| SCHEMBL17171318 | 0.62 | PDK2 (0.30) | — | |
| SCHEMBL28043587 | 0.55 | PTPRC (0.40) | — | |
| SCHEMBL27107024 | 0.54 | KCNH2 (0.37) | — | |
| SCHEMBL23638113 | 0.54 | PDK2 (0.33) | — | |
| SCHEMBL19192213 | 0.51 | LMNA (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 |
|---|---|---|---|---|---|---|---|
| EP-3424934-B1 | ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES | UNIVERSAL DISPLAY CORP (US) | 2021-07-14 | — | — | EP | disclosed |