⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19001680 | 0.94 | — | — | |
| SCHEMBL19683844 | 0.94 | — | — | |
| SCHEMBL19683801 | 0.93 | — | — | |
| SCHEMBL19684084 | 0.92 | PDK2 (0.31) | — | |
| SCHEMBL19001947 | 0.92 | PDK2 (0.31) | — | |
| SCHEMBL19683875 | 0.92 | — | — | |
| SCHEMBL24491388 | 0.92 | — | — | |
| SCHEMBL19001945 | 0.91 | PDK2 (0.31) | — | |
| SCHEMBL19684075 | 0.91 | PDK2 (0.31) | — | |
| SCHEMBL19683976 | 0.91 | PDK2 (0.32) | — |
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-20220123221-A1 | LIGHT EMITTING DEVICE AND AMINE COMPOUND FOR THE SAME | SAMSUNG DISPLAY CO., LTD. (KR) | 2022-04-21 | — | — | US | disclosed |