⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15960721 | 0.82 | — | — | |
| SCHEMBL19122108 | 0.80 | DPP4 (0.30) | — | |
| SCHEMBL21323268 | 0.80 | DPP4 (0.30) | — | |
| SCHEMBL15960716 | 0.77 | — | — | |
| SCHEMBL25859449 | 0.77 | — | — | |
| SCHEMBL25859585 | 0.77 | — | — | |
| SCHEMBL15960694 | 0.75 | — | — | |
| SCHEMBL25125594 | 0.74 | — | — | |
| SCHEMBL21216979 | 0.72 | CYP1A2 (0.32) | — | |
| SCHEMBL21730412 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230233560-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-07-27 | — | — | US | disclosed |
| US-9782408-B2 | Modulators of cystic fibrosis transmembrane conductance regulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-10-10 | — | — | US | disclosed |