⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2860578 | 0.84 | TGFBR1 (0.33) | — | |
| SCHEMBL3406373 | 0.82 | — | — | |
| SCHEMBL3405130 | 0.79 | — | — | |
| SCHEMBL3404902 | 0.77 | PDE3B (0.30) | — | |
| SCHEMBL3406364 | 0.73 | — | — | |
| SCHEMBL3405151 | 0.72 | — | — | |
| SCHEMBL3405071 | 0.71 | — | — | |
| SCHEMBL2860574 | 0.70 | TSHR (0.31) | — | |
| SCHEMBL2856663 | 0.69 | PDE10A (0.33) | — | |
| SCHEMBL3403737 | 0.67 | PDE2A (0.30) | — |
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 2 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 |