⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19089908 | 0.86 | ALDH1A1 (0.32) | — | |
| SCHEMBL19089816 | 0.86 | ALDH1A1 (0.32) | — | |
| SCHEMBL19098004 | 0.86 | — | — | |
| SCHEMBL19089818 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL19098278 | 0.84 | PDK2 (0.34) | — | |
| SCHEMBL22815556 | 0.83 | — | — | |
| SCHEMBL24421879 | 0.83 | LMNA (0.31) | — | |
| SCHEMBL22815289 | 0.83 | LMNA (0.32) | — | |
| SCHEMBL19098040 | 0.83 | PDK2 (0.32) | — | |
| SCHEMBL19098357 | 0.82 | LMNA (0.35) | — |
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-2017116168-A1 | ORGANIC ELECTROLUMINESCENT ELEMENT | 머티어리얼사이언스 주식회사 | 2017-07-06 | — | — | WO | disclosed |