⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9172321 | 1.00 | — | — | |
| SCHEMBL24743771 | 0.82 | — | — | |
| SCHEMBL15692448 | 0.74 | MEN1 (0.34) | — | |
| SCHEMBL25706027 | 0.74 | MEN1 (0.34) | — | |
| SCHEMBL26384967 | 0.72 | — | — | |
| SCHEMBL82179 | 0.71 | — | — | |
| SCHEMBL21044599 | 0.70 | — | — | |
| SCHEMBL18675966 | 0.70 | — | — | |
| SCHEMBL25515173 | 0.70 | — | — | |
| SCHEMBL8272534 | 0.70 | — | — |
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-20230357191-A1 | MODULATOR OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR | VERTEX PHARMACEUTICALS (SAN DIEGO) LLC | 2023-11-09 | — | — | US | disclosed |
| US-20230312616-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMA (US) | 2023-10-05 | — | — | US | disclosed |
| US-20230312616-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMA (US) | 2023-10-05 | — | — | US | disclosed |
| US-20210139514-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED | 2021-05-13 | — | — | US | disclosed |