⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24618779 | 0.94 | ALOX5 (0.30) | — | |
| SCHEMBL26262562 | 0.89 | ALOX5 (0.33) | — | |
| SCHEMBL12206523 | 0.88 | ALDH1A1 (0.34) | — | |
| SCHEMBL19752556 | 0.87 | KDM4E (0.30) | — | |
| SCHEMBL19165607 | 0.86 | ALDH1A1 (0.35) | — | |
| SCHEMBL12206534 | 0.86 | ALDH1A1 (0.35) | — | |
| SCHEMBL24704119 | 0.83 | ALOX5 (0.31) | — | |
| SCHEMBL20647427 | 0.83 | HPGD (0.32) | — | |
| SCHEMBL20927471 | 0.81 | ALOX5 (0.39) | — | |
| SCHEMBL4083853 | 0.80 | MEN1 (0.33) | — |
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-20210020842-A1 | ORGANIC LIGHT-EMITTING DEVICE | LG CHEM, LTD. (KR) | 2021-01-21 | — | — | US | disclosed |