⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30709432 | 0.85 | TGFBR1 (0.34) | — | |
| SCHEMBL30709566 | 0.83 | PSMB5 (0.31) | — | |
| SCHEMBL30709186 | 0.81 | MEN1 (0.33) | — | |
| SCHEMBL30709577 | 0.80 | NOTUM (0.36) | — | |
| SCHEMBL30709556 | 0.79 | — | — | |
| SCHEMBL22148811 | 0.79 | — | — | |
| SCHEMBL30709519 | 0.78 | CYP11B1 (0.38) | — | |
| SCHEMBL30709393 | 0.74 | RAC2 (0.32) | — | |
| SCHEMBL30709270 | 0.69 | CRHR1 (0.32) | — | |
| SCHEMBL16139058 | 0.66 | MEN1 (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-11849634-B2 | Composition of matter for use in organic light- emitting diodes | KYULUX, INC. (JP) | 2023-12-19 | — | — | US | disclosed |