⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17334416 | 0.87 | — | — | |
| SCHEMBL9941422 | 0.87 | — | — | |
| SCHEMBL9937841 | 0.86 | — | — | |
| SCHEMBL16270432 | 0.81 | GRM5 (0.65) | — | |
| SCHEMBL9937586 | 0.81 | GRM5 (0.67) | — | |
| SCHEMBL9937302 | 0.80 | GRM5 (1.00) | — | |
| SCHEMBL9937554 | 0.80 | — | — | |
| SCHEMBL17334405 | 0.79 | — | — | |
| SCHEMBL17334407 | 0.79 | — | — | |
| SCHEMBL12092781 | 0.78 | GRM5 (0.66) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2651222-A1 | BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | Vanderbilt University (US) | 2013-10-23 | — | — | EP | disclosed |
| WO-2012083224-A1 | BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | VANDERBILT UNIVERSITY (US) | 2012-06-21 | — | — | WO | disclosed |