⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3405077 | 0.85 | MAPK1 (0.34) | — | |
| SCHEMBL3409442 | 0.83 | KDM4C (0.33) | — | |
| SCHEMBL3404088 | 0.79 | DPP4 (0.32) | — | |
| SCHEMBL3404213 | 0.77 | MAPT (0.35) | — | |
| SCHEMBL3403300 | 0.76 | MAPT (0.35) | — | |
| SCHEMBL3407676 | 0.74 | TAS2R14 (0.36) | — | |
| SCHEMBL3409438 | 0.73 | TDP1 (0.33) | — | |
| SCHEMBL3403629 | 0.73 | MAPK1 (0.36) | — | |
| SCHEMBL3405074 | 0.72 | CA1 (0.42) | — | |
| SCHEMBL3403741 | 0.72 | LDHA (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 1 patent. 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 |