⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22982641 | 1.00 | — | — | |
| SCHEMBL22983074 | 1.00 | — | — | |
| SCHEMBL22982300 | 1.00 | — | — | |
| Methane SCHEMBL22983107 | 0.99 | — | — | |
| Methane SCHEMBL22983106 | 0.99 | — | — | |
| SCHEMBL22982809 | 0.87 | — | — | |
| SCHEMBL22982299 | 0.87 | — | — | |
| SCHEMBL22982712 | 0.87 | — | — | |
| SCHEMBL22982296 | 0.87 | — | — | |
| SCHEMBL23005992 | 0.86 | NR1H2 (0.34) | — |
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-4013759-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2022-06-22 | — | — | EP | disclosed |
| CN-114585628-A | Modulators of cystic fibrosis transmembrane conductance regulator | 弗特克斯药品有限公司 | 2022-06-03 | — | — | CN | disclosed |
| WO-2021030556-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2021-02-18 | — | — | WO | disclosed |