⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13850018 | 0.96 | KDM4E (0.30) | — | |
| SCHEMBL25557008 | 0.95 | — | — | |
| SCHEMBL24134605 | 0.90 | — | — | |
| SCHEMBL14420565 | 0.89 | — | — | |
| SCHEMBL19496832 | 0.88 | — | — | |
| SCHEMBL14342179 | 0.88 | — | — | |
| SCHEMBL23680131 | 0.87 | — | — | |
| SCHEMBL13780623 | 0.87 | ALDH1A1 (0.34) | — | |
| SCHEMBL13357321 | 0.87 | — | — | |
| SCHEMBL12353064 | 0.87 | — | — |
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-3211681-A1 | ORGANIC LIGHT-EMITTING APPARATUS | Samsung Electronics Co., Ltd. (KR) | 2017-08-30 | — | — | EP | disclosed |