⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22148811 | 1.00 | — | — | |
| SCHEMBL30709393 | 0.85 | RAC2 (0.32) | — | |
| SCHEMBL30709221 | 0.79 | — | — | |
| SCHEMBL25000853 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL15275603 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL14426138 | 0.77 | KDM4E (0.41) | — | |
| SCHEMBL30709566 | 0.77 | PSMB5 (0.31) | — | |
| SCHEMBL30709494 | 0.74 | RAC2 (0.31) | — | |
| SCHEMBL14426135 | 0.74 | KDM4E (0.42) | — | |
| SCHEMBL14426133 | 0.74 | KDM4E (0.38) | — |
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 |