⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19885686 | 0.77 | PDK2 (0.44) | — | |
| SCHEMBL19885700 | 0.74 | PDK2 (0.32) | — | |
| SCHEMBL19885684 | 0.72 | PDK2 (0.42) | — | |
| SCHEMBL19885576 | 0.72 | PDK2 (0.42) | — | |
| SCHEMBL25648402 | 0.72 | KDM4E (0.32) | — | |
| SCHEMBL23873819 | 0.71 | PDK2 (0.44) | — | |
| SCHEMBL17151723 | 0.71 | PDK2 (0.44) | — | |
| SCHEMBL31743446 | 0.71 | PDK2 (0.44) | — | |
| SCHEMBL30506446 | 0.71 | PDK2 (0.44) | — | |
| SCHEMBL17151592 | 0.71 | PDK2 (0.44) | — |
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-3351545-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME | LG Chem, Ltd. (KR) | 2018-07-25 | — | — | EP | disclosed |