⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27827705 | 0.74 | — | — | |
| SCHEMBL13264077 | 0.64 | TRPV4 (0.39) | — | |
| SCHEMBL21928132 | 0.63 | CYP11B1 (0.38) | — | |
| SCHEMBL12754871 | 0.62 | GRM5 (0.46) | — | |
| SCHEMBL10241740 | 0.61 | CYP11B1 (0.33) | — | |
| SCHEMBL8018559 | 0.60 | EGFR (0.35) | — | |
| SCHEMBL2000191 | 0.60 | HTT (0.44) | — | |
| SCHEMBL23458907 | 0.60 | HPGDS (0.36) | — | |
| SCHEMBL30677789 | 0.59 | PIK3CD (0.34) | — | |
| SCHEMBL23482028 | 0.59 | PIK3CD (0.34) | — |
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-7915424-B2 | Analgesics; anxiolytic agents | ELI LILLY AND COMPANY (US) | 2011-03-29 | — | — | US | disclosed |
| EP-1729771-B1 | PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2009-10-14 | — | — | EP | disclosed |
| US-20080194647-A1 | Pyridyl Derivatives and Their Use as Mglu5 Antagonists | ELI LILLY AND COMPANY (US) | 2008-08-14 | — | — | US | disclosed |
| EP-1729771-A1 | PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS | Eli Lilly & Company (US) | 2006-12-13 | — | — | EP | disclosed |
| WO-2005094822-A1 | PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2005-10-13 | — | — | WO | disclosed |