⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21274995 | 0.98 | — | — | |
| SCHEMBL21244830 | 0.98 | — | — | |
| SCHEMBL21244660 | 0.95 | — | — | |
| SCHEMBL21245007 | 0.95 | — | — | |
| SCHEMBL28506056 | 0.88 | BRD4 (0.36) | — | |
| SCHEMBL22982903 | 0.88 | BRD4 (0.36) | — | |
| SCHEMBL21275070 | 0.86 | SIGMAR1 (0.37) | — | |
| SCHEMBL21244721 | 0.86 | SIGMAR1 (0.37) | — | |
| SCHEMBL21244877 | 0.84 | BRD4 (0.32) | — | |
| SCHEMBL21275283 | 0.84 | BRD4 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3752510-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) | 2020-12-23 | — | — | EP | disclosed |
| 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 |