⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3404301 | 0.89 | BCHE (0.33) | — | |
| SCHEMBL3404450 | 0.88 | MEN1 (0.34) | — | |
| SCHEMBL3410046 | 0.88 | MAPT (0.36) | — | |
| SCHEMBL3403339 | 0.86 | SCN9A (0.33) | — | |
| SCHEMBL3406418 | 0.85 | CA2 (0.39) | — | |
| SCHEMBL3403237 | 0.84 | KMT2A (0.34) | — | |
| SCHEMBL3405643 | 0.84 | CA2 (0.33) | — | |
| SCHEMBL3403825 | 0.84 | KDM4E (0.33) | — | |
| SCHEMBL3409999 | 0.83 | ATM (0.34) | — | |
| SCHEMBL3406188 | 0.83 | — | — |
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 |