⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19040797 | 0.70 | AKR1B10 (0.30) | — | |
| SCHEMBL11126586 | 0.67 | — | — | |
| SCHEMBL727441 | 0.67 | APLNR (0.32) | — | |
| SCHEMBL18134202 | 0.66 | — | — | |
| SCHEMBL109050 | 0.66 | EPHX1 (0.35) | — | |
| SCHEMBL187063 | 0.66 | — | — | |
| SCHEMBL8372233 | 0.65 | ALDH1A1 (0.36) | — | |
| SCHEMBL16378093 | 0.64 | TSHR (0.35) | — | |
| SCHEMBL5265019 | 0.62 | — | — | |
| SCHEMBL9150386 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6624185-B2 | Drugs at least one lipid- or triglyceride-lowering active compound; and carriers for lipid metabolism | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2003-09-23 | — | — | US | disclosed |