⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14540959 | 1.00 | — | — | |
| SCHEMBL23048507 | 0.80 | — | — | |
| SCHEMBL14030017 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL1685559 | 0.73 | — | — | |
| SCHEMBL22931421 | 0.73 | — | — | |
| SCHEMBL12200649 | 0.73 | — | — | |
| SCHEMBL1685560 | 0.73 | — | — | |
| SCHEMBL14191153 | 0.71 | — | — | |
| SCHEMBL19017632 | 0.71 | — | — | |
| SCHEMBL19708551 | 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-2018064632-A1 | MODULATOR OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2018-04-05 | — | — | WO | disclosed |