⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25707472 | 0.74 | NOS3 (0.34) | — | |
| SCHEMBL22681215 | 0.73 | KCNH2 (0.33) | — | |
| SCHEMBL25704250 | 0.70 | KCNH2 (0.43) | — | |
| SCHEMBL25713784 | 0.67 | DAO (0.32) | — | |
| SCHEMBL28861908 | 0.63 | KCNH2 (0.42) | — | |
| SCHEMBL25721921 | 0.62 | GABRP (0.33) | — | |
| SCHEMBL22600625 | 0.59 | — | — | |
| SCHEMBL21311233 | 0.59 | TLR8 (0.31) | — | |
| SCHEMBL10154714 | 0.59 | KCNH2 (0.38) | — | |
| SCHEMBL13272888 | 0.59 | GRIN2D (0.50) | — |
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-3436446-B1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMA (US) | 2023-06-07 | — | — | EP | disclosed |