⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2168948 | 0.79 | — | — | |
| SCHEMBL19434619 | 0.79 | DUT (0.38) | — | |
| SCHEMBL9183601 | 0.76 | HTT (0.35) | — | |
| SCHEMBL7711987 | 0.75 | DUT (0.30) | — | |
| SCHEMBL135371 | 0.75 | POLB (0.32) | — | |
| SCHEMBL4870509 | 0.75 | — | — | |
| SCHEMBL16288750 | 0.75 | — | — | |
| SCHEMBL28389135 | 0.75 | DUT (0.37) | — | |
| SCHEMBL336316 | 0.73 | — | — | |
| SCHEMBL19809729 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2212316-A1 | AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 | AstraZeneca AB (SE) | 2010-08-04 | — | — | EP | disclosed |
| US-20090111821-A1 | AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 | ASTRAZENECA AB (SE) | 2009-04-30 | — | — | US | disclosed |
| US-20090111821-A1 | AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 | ASTRAZENECA AB (SE) | 2009-04-30 | — | — | US | disclosed |
| WO-2009054794-A1 | AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 | ASTRAZENECA AB (SE) | 2009-04-30 | — | — | WO | disclosed |