⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17432177 | 1.00 | — | — | |
| SCHEMBL13620943 | 1.00 | — | — | |
| SCHEMBL16359269 | 0.77 | MRGPRX2 (0.33) | — | |
| SCHEMBL7878287 | 0.77 | NQO1 (0.30) | — | |
| SCHEMBL19231177 | 0.77 | — | — | |
| SCHEMBL15382412 | 0.76 | — | — | |
| SCHEMBL8267488 | 0.75 | — | — | |
| SCHEMBL16358937 | 0.75 | — | — | |
| SCHEMBL13558413 | 0.75 | — | — | |
| SCHEMBL23183052 | 0.72 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012083224-A1 | BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | VANDERBILT UNIVERSITY (US) | 2012-06-21 | — | — | WO | disclosed |
| US-20070275984-A1 | Novel Thieno-Pyridine and Thieno-Pyrimidine Derivatives and Their Use as Positive Allosteric Modulators of Mglur2-Receptors | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-11-29 | — | — | US | disclosed |
| US-20070275984-A1 | Novel Thieno-Pyridine and Thieno-Pyrimidine Derivatives and Their Use as Positive Allosteric Modulators of Mglur2-Receptors | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-11-29 | — | — | US | disclosed |