⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21288442 | 0.84 | ARG1 (0.31) | — | |
| SCHEMBL14814221 | 0.78 | — | — | |
| SCHEMBL10021959 | 0.77 | — | — | |
| Ammonia Solution, Strong SCHEMBL4454221 | 0.74 | — | — | |
| SCHEMBL14420054 | 0.74 | — | — | |
| SCHEMBL20414409 | 0.73 | — | — | |
| SCHEMBL6408536 | 0.73 | — | — | |
| SCHEMBL445912 | 0.73 | — | — | |
| SCHEMBL25514988 | 0.72 | — | — | |
| SCHEMBL21256197 | 0.72 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4198037-A1 | MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS | Vertex Pharmaceuticals Incorporated (US) | 2023-06-21 | — | — | EP | disclosed |
| EP-3752510-B1 | 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 PHARMA (US) | 2022-12-07 | — | — | EP | disclosed |
| EP-3896524-A1 | ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS | CANON KABUSHIKI KAISHA (JP) | 2021-10-20 | — | — | EP | disclosed |