⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21651616 | 0.97 | PDK2 (0.31) | — | |
| SCHEMBL18534087 | 0.97 | PDK2 (0.30) | — | |
| SCHEMBL21118184 | 0.96 | PDK2 (0.30) | — | |
| SCHEMBL19752092 | 0.96 | PDK2 (0.30) | — | |
| SCHEMBL23193190 | 0.96 | — | — | |
| SCHEMBL23191549 | 0.93 | PDK2 (0.35) | — | |
| SCHEMBL22139286 | 0.91 | PDK2 (0.30) | — | |
| SCHEMBL25685252 | 0.90 | PDK2 (0.36) | — | |
| SCHEMBL22383867 | 0.90 | PDK2 (0.31) | — | |
| SCHEMBL20628740 | 0.90 | PDK2 (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-3444241-A1 | AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME | Samsung Display Co., Ltd. (KR) | 2019-02-20 | — | — | EP | disclosed |