⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27466841 | 0.81 | — | — | |
| SCHEMBL24324397 | 0.77 | — | — | |
| SCHEMBL24529164 | 0.74 | — | — | |
| SCHEMBL29705105 | 0.72 | — | — | |
| SCHEMBL16541452 | 0.72 | — | — | |
| SCHEMBL28070276 | 0.71 | — | — | |
| SCHEMBL27592504 | 0.68 | — | — | |
| SCHEMBL21780565 | 0.67 | — | — | |
| SCHEMBL21780567 | 0.67 | — | — | |
| SCHEMBL2755812 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022076622-A2 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |