⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12076708 | 0.88 | CYP1A2 (0.48) | — | |
| SCHEMBL12076883 | 0.88 | CYP1A2 (0.48) | — | |
| SCHEMBL9938581 | 0.88 | CYP1A2 (0.48) | — | |
| SCHEMBL9937841 | 0.78 | — | — | |
| SCHEMBL9936898 | 0.77 | CYP1A2 (0.48) | — | |
| SCHEMBL25225960 | 0.76 | PIK3C3 (0.55) | — | |
| SCHEMBL9938602 | 0.75 | GRM5 (0.63) | — | |
| SCHEMBL9940806 | 0.75 | CYP1A2 (0.47) | — | |
| SCHEMBL9938285 | 0.75 | — | — | |
| SCHEMBL9936870 | 0.74 | CYP1A2 (0.48) | — |
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-20140057870-A1 | BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | VANDERBILT UNIVERSITY (US) | 2014-02-27 | — | — | US | disclosed |
| US-8592422-B2 | Bicyclic triazole and pyrazole lactams as allosteric modulators of mGluR5 receptors | VANDERBILT UNIVERSITY (US) | 2013-11-26 | — | — | US | disclosed |
| EP-2651222-A1 | BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | Vanderbilt University (US) | 2013-10-23 | — | — | EP | disclosed |
| US-20120225844-A1 | BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | JANSSEN-CILAG S.A. (ES) | 2012-09-06 | — | — | US | disclosed |
| WO-2012083224-A1 | BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | VANDERBILT UNIVERSITY (US) | 2012-06-21 | — | — | WO | disclosed |