⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17738289 | 0.70 | — | — | |
| SCHEMBL12181241 | 0.68 | — | — | |
| SCHEMBL22779562 | 0.62 | — | — | |
| SCHEMBL23437893 | 0.62 | — | — | |
| SCHEMBL1101991 | 0.62 | — | — | |
| SCHEMBL12181630 | 0.60 | HTR6 (0.32) | — | |
| SCHEMBL23934208 | 0.58 | — | — | |
| SCHEMBL2705893 | 0.58 | — | — | |
| SCHEMBL863189 | 0.58 | — | — | |
| SCHEMBL23380061 | 0.56 | — | — |
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-3798214-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2021-03-31 | — | — | EP | disclosed |