⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12047051 | 0.92 | — | — | |
| SCHEMBL17379180 | 0.86 | — | — | |
| SCHEMBL13670545 | 0.70 | — | — | |
| SCHEMBL12521914 | 0.67 | — | — | |
| SCHEMBL3245962 | 0.67 | — | — | |
| SCHEMBL12521915 | 0.67 | — | — | |
| SCHEMBL17379090 | 0.67 | — | — | |
| SCHEMBL77383 | 0.65 | — | — | |
| SCHEMBL21318880 | 0.64 | — | — | |
| SCHEMBL12026386 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-2015200682-A1 | SUBSTITUTED 4-ALKOXYPICOLINAMIDE ANALOGS DS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS | VANDERBILT UNIVERSITY (US) | 2015-12-30 | — | — | WO | disclosed |