⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21152464 | 0.77 | — | — | |
| SCHEMBL18408977 | 0.76 | — | — | |
| SCHEMBL19261363 | 0.76 | — | — | |
| SCHEMBL14669989 | 0.75 | — | — | |
| SCHEMBL16976847 | 0.75 | — | — | |
| SCHEMBL21166251 | 0.73 | — | — | |
| SCHEMBL19916795 | 0.73 | — | — | |
| SCHEMBL19034279 | 0.73 | — | — | |
| SCHEMBL19803280 | 0.73 | — | — | |
| SCHEMBL19803243 | 0.73 | — | — |
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-3203840-B1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMA (US) | 2020-08-05 | — | — | EP | disclosed |