⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19544820 | 0.79 | HDAC8 (0.35) | — | |
| SCHEMBL22756962 | 0.78 | PRKDC (0.38) | — | |
| SCHEMBL23056819 | 0.78 | PRKDC (0.38) | — | |
| SCHEMBL23056754 | 0.77 | CHRNB4 (0.38) | — | |
| SCHEMBL23056758 | 0.77 | CHRNB4 (0.38) | — | |
| SCHEMBL21335292 | 0.77 | PTPRF (0.33) | — | |
| SCHEMBL20121355 | 0.77 | PTPRF (0.36) | — | |
| SCHEMBL23056818 | 0.75 | CHRNB4 (0.36) | — | |
| SCHEMBL22757075 | 0.75 | PRKDC (0.35) | — | |
| SCHEMBL21335261 | 0.74 | PTPRF (0.36) | — |
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-3747876-A1 | COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME | Idemitsu Kosan Co.,Ltd. (JP) | 2020-12-09 | — | — | EP | disclosed |