⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL354088 | 0.75 | — | — | |
| SCHEMBL22733885 | 0.72 | — | — | |
| SCHEMBL16288939 | 0.70 | — | — | |
| SCHEMBL8234731 | 0.70 | — | — | |
| SCHEMBL1254580 | 0.69 | — | — | |
| SCHEMBL7580670 | 0.67 | CYP2C19 (0.42) | — | |
| SCHEMBL4241391 | 0.67 | DAO (0.31) | — | |
| SCHEMBL18368363 | 0.65 | ALDH1A1 (0.31) | — | |
| SCHEMBL22711379 | 0.65 | — | — | |
| SCHEMBL3128736 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090111825-A1 | THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 | ASTRAZENECA AB (SE) | 2009-04-30 | — | — | US | disclosed |
| US-20090111825-A1 | THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 | ASTRAZENECA AB (SE) | 2009-04-30 | — | — | US | disclosed |
| WO-2009054793-A1 | THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 | ASTRAZENECA AB (SE) | 2009-04-30 | — | — | WO | disclosed |
| WO-2009054793-A1 | THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 | ASTRAZENECA AB (SE) | 2009-04-30 | — | — | WO | disclosed |