⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6117803 | 0.76 | HIF1A (0.44) | — | |
| SCHEMBL5651159 | 0.72 | — | — | |
| SCHEMBL12133294 | 0.72 | — | — | |
| SCHEMBL449954 | 0.71 | — | — | |
| SCHEMBL27479420 | 0.69 | — | — | |
| SCHEMBL1355735 | 0.67 | — | — | |
| SCHEMBL31307025 | 0.67 | — | — | |
| SCHEMBL15283586 | 0.67 | HMGCR (0.50) | — | |
| SCHEMBL2698478 | 0.67 | — | — | |
| SCHEMBL30185665 | 0.65 | — | — |
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-7253169-B2 | Aza compounds, pharmaceutical compositions and methods of use | GLIAMED, INC. (US) | 2007-08-07 | — | — | US | disclosed |