⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12384349 | 0.78 | HTT (0.30) | — | |
| SCHEMBL13841670 | 0.71 | — | — | |
| SCHEMBL19606162 | 0.70 | — | — | |
| SCHEMBL108955 | 0.69 | — | — | |
| SCHEMBL21940866 | 0.69 | — | — | |
| SCHEMBL21940867 | 0.69 | — | — | |
| SCHEMBL24150524 | 0.69 | — | — | |
| SCHEMBL21781829 | 0.67 | — | — | |
| SCHEMBL15692447 | 0.67 | — | — | |
| SCHEMBL15692444 | 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 |
|---|---|---|---|---|---|---|---|
| EP-3798214-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2021-03-31 | — | — | EP | disclosed |