⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2861338 | 0.86 | QPCT (0.37) | — | |
| SCHEMBL2856658 | 0.85 | TSHR (0.30) | — | |
| SCHEMBL2861339 | 0.85 | PDE2A (0.32) | — | |
| SCHEMBL2862871 | 0.83 | HDAC1 (0.36) | — | |
| SCHEMBL2856847 | 0.83 | PDE3B (0.35) | — | |
| SCHEMBL2860574 | 0.82 | TSHR (0.31) | — | |
| SCHEMBL3409152 | 0.76 | LMNA (0.39) | — | |
| SCHEMBL2865990 | 0.75 | MAPT (0.38) | — | |
| SCHEMBL3405071 | 0.73 | — | — | |
| SCHEMBL2868488 | 0.73 | QPCT (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1370260-B1 | AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2010-11-24 | — | — | EP | claimed |
| US-7709510-B2 | Azoles as malonyl-CoA decarboxylase inhibitors useful as metabolic modulators | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2010-05-04 | — | — | US | 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 |