⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24248546 | 0.88 | GLB1 (0.34) | — | |
| SCHEMBL12181317 | 0.82 | — | — | |
| SCHEMBL14307286 | 0.81 | — | — | |
| SCHEMBL23183312 | 0.79 | SORT1 (0.38) | — | |
| SCHEMBL24002092 | 0.78 | KDM4E (0.31) | — | |
| SCHEMBL12181578 | 0.75 | ALDH1A1 (0.37) | — | |
| SCHEMBL6885257 | 0.69 | — | — | |
| SCHEMBL18806994 | 0.69 | — | — | |
| SCHEMBL20000771 | 0.67 | DRD2 (0.33) | — | |
| SCHEMBL12181354 | 0.64 | BIRC2 (0.45) | — |
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 |