⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18733578 | 1.00 | — | — | |
| SCHEMBL19301237 | 1.00 | — | — | |
| SCHEMBL11742953 | 0.85 | — | — | |
| SCHEMBL576577 | 0.81 | — | — | |
| SCHEMBL576448 | 0.77 | — | — | |
| SCHEMBL14781976 | 0.72 | — | — | |
| SCHEMBL441211 | 0.70 | — | — | |
| SCHEMBL17723015 | 0.69 | — | — | |
| SCHEMBL576194 | 0.69 | — | — | |
| SCHEMBL18733579 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170247366-A1 | SUBSTITUTED 4-ALKOXYPICOLINAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2017-08-31 | — | — | US | disclosed |