⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12659529 | 0.73 | — | — | |
| SCHEMBL8267207 | 0.73 | — | — | |
| SCHEMBL13556186 | 0.71 | — | — | |
| SCHEMBL18912155 | 0.68 | — | — | |
| SCHEMBL14733997 | 0.63 | NOS3 (0.40) | — | |
| SCHEMBL18951910 | 0.63 | — | — | |
| SCHEMBL12153455 | 0.59 | — | — | |
| SCHEMBL13370647 | 0.59 | — | — | |
| SCHEMBL6912690 | 0.59 | — | — | |
| SCHEMBL10582509 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2615085-A1 | Pyridyl derivatives as CFTR modulators | Vertex Pharmaceuticals Incorporated (US) | 2013-07-17 | — | — | EP | disclosed |
| EP-1988077-A1 | NIROGENOUS HETEROCYCLIC DERIVATIVES SUBSTITUTED WITH CYCLIC GROUPS | SHIONOGI & CO., LTD. (JP) | 2008-11-05 | — | — | EP | disclosed |