⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21452686 | 1.00 | — | — | |
| SCHEMBL21452847 | 0.81 | — | — | |
| SCHEMBL19321653 | 0.77 | MEN1 (0.32) | — | |
| SCHEMBL26772720 | 0.74 | — | — | |
| SCHEMBL21554796 | 0.74 | — | — | |
| SCHEMBL22460234 | 0.74 | HPGD (0.30) | — | |
| SCHEMBL19321655 | 0.74 | — | — | |
| SCHEMBL19321690 | 0.73 | GAA (0.31) | — | |
| SCHEMBL26405422 | 0.73 | — | — | |
| SCHEMBL25081700 | 0.73 | CHRM2 (0.30) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210139514-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED | 2021-05-13 | — | — | US | disclosed |
| US-20210032272-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR | VERTEX PHARMACEUTICALS INCORPORATED | 2021-02-04 | — | — | US | disclosed |
| WO-2019200246-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR | ABELA ALEXANDER RUSSELL (US) | 2019-10-17 | — | — | WO | disclosed |
| WO-2019195739-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | ABELA ALEXANDER RUSSELL (US) | 2019-10-10 | — | — | WO | disclosed |