⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3401947 | 0.90 | FFAR2 (0.35) | — | |
| SCHEMBL3405781 | 0.87 | HSD11B1 (0.30) | — | |
| SCHEMBL3403853 | 0.86 | NAALAD2 (0.31) | — | |
| SCHEMBL3406293 | 0.86 | LMNA (0.33) | — | |
| SCHEMBL2857237 | 0.86 | NTRK1 (0.34) | — | |
| SCHEMBL3406285 | 0.85 | KEAP1 (0.32) | — | |
| SCHEMBL3405759 | 0.85 | CYSLTR1 (0.31) | — | |
| SCHEMBL3406730 | 0.82 | SCN9A (0.31) | — | |
| SCHEMBL3402152 | 0.80 | NAALAD2 (0.37) | — | |
| SCHEMBL3406190 | 0.77 | IRAK4 (0.32) | — |
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-1370260-B1 | AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2010-11-24 | — | — | EP | claimed |
| US-20040092503-A1 | Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2004-05-13 | — | — | US | claimed |
| EP-1370260-A2 | AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-12-17 | — | — | EP | claimed |
| WO-2002066035-A2 | AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2002-08-29 | — | — | WO | claimed |