⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17379111 | 1.00 | — | — | |
| SCHEMBL17379573 | 1.00 | — | — | |
| SCHEMBL17379153 | 0.87 | — | — | |
| SCHEMBL17379538 | 0.87 | — | — | |
| SCHEMBL17379529 | 0.87 | — | — | |
| SCHEMBL576319 | 0.73 | — | — | |
| SCHEMBL19301253 | 0.73 | — | — | |
| SCHEMBL19301355 | 0.73 | — | — | |
| SCHEMBL1760690 | 0.73 | — | — | |
| SCHEMBL17379179 | 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 5 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 |
| 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 |
| US-4906610-A | Tetrahydro-5-isopropyl-2-methyl-2-thiophene acetonitrile, organoleptic uses thereof and process for preparing same | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1990-03-06 | — | — | US | disclosed |
| US-4710320-A | REACTING 1-AMINO-2-HALOGENO-4-HYDROXYANTHRAQUINONES WITH PHENOLS IN A SULFOLANE SOLVENT WITH AN ACID BINDING AGENT | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1987-12-01 | — | — | US | disclosed |