⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26575699 | 0.97 | MEN1 (0.30) | — | |
| SCHEMBL24324613 | 0.89 | — | — | |
| SCHEMBL24298123 | 0.88 | — | — | |
| SCHEMBL26573129 | 0.88 | — | — | |
| SCHEMBL24298776 | 0.86 | — | — | |
| SCHEMBL22509294 | 0.85 | AAK1 (0.34) | — | |
| SCHEMBL24298810 | 0.85 | AAK1 (0.34) | — | |
| SCHEMBL26569626 | 0.85 | — | — | |
| SCHEMBL24298756 | 0.85 | LDHA (0.31) | — | |
| SCHEMBL26846380 | 0.85 | SCN4A (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023196429-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-10-12 | — | — | WO | disclosed |
| WO-2022076622-A2 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |