⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21288463 | 0.86 | — | — | |
| SCHEMBL21245059 | 0.81 | — | — | |
| SCHEMBL15183676 | 0.81 | — | — | |
| SCHEMBL20602211 | 0.75 | — | — | |
| SCHEMBL21016300 | 0.74 | CYP4F2 (0.36) | — | |
| SCHEMBL21015965 | 0.73 | CYP4F2 (0.39) | — | |
| SCHEMBL21288509 | 0.71 | — | — | |
| SCHEMBL18274455 | 0.71 | CYP4F2 (0.34) | — | |
| SCHEMBL17979492 | 0.65 | — | — | |
| SCHEMBL20043255 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019161078-A1 | MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF, THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS, AND PROCESS FOR MAKING THEM | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2019-08-22 | — | — | WO | disclosed |