⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24664775 | 0.90 | — | — | |
| SCHEMBL16889405 | 0.87 | AHR (0.35) | — | |
| SCHEMBL25644133 | 0.87 | MAPK1 (0.36) | — | |
| SCHEMBL21793774 | 0.85 | AHR (0.33) | — | |
| SCHEMBL24665957 | 0.85 | NTSR1 (0.34) | — | |
| SCHEMBL24631905 | 0.85 | MAPK1 (0.35) | — | |
| SCHEMBL21793769 | 0.84 | NTSR1 (0.30) | — | |
| SCHEMBL25635080 | 0.84 | PLK4 (0.33) | — | |
| SCHEMBL24255036 | 0.84 | AHR (0.35) | — | |
| SCHEMBL25387356 | 0.84 | MAPK1 (0.34) | — |
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-20220348596-A1 | ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES | UNIVERSAL DISPLAY CORPORATION (US) | 2022-11-03 | — | — | US | disclosed |