⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22037154 | 0.87 | KDM4E (0.41) | — | |
| SCHEMBL22036794 | 0.87 | KDM4E (0.41) | — | |
| SCHEMBL22036792 | 0.85 | KDM4E (0.39) | — | |
| SCHEMBL22036767 | 0.85 | KDM4E (0.36) | — | |
| SCHEMBL13245652 | 0.81 | KDM4E (0.40) | — | |
| SCHEMBL25751944 | 0.79 | KDM4E (0.38) | — | |
| SCHEMBL25751948 | 0.79 | KDM4E (0.38) | — | |
| SCHEMBL13245653 | 0.79 | LIMK1 (0.36) | — | |
| SCHEMBL19849190 | 0.78 | CYP1A2 (0.32) | — | |
| SCHEMBL21965163 | 0.77 | RAC2 (0.35) | — |
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-20200168808-A1 | ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES | UNIVERSAL DISPLAY CORPORATION | 2020-05-28 | — | — | US | disclosed |