⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL942875 | 0.84 | — | — | |
| SCHEMBL14993218 | 0.80 | — | — | |
| SCHEMBL97270 | 0.69 | — | — | |
| SCHEMBL8723799 | 0.68 | CES2 (0.31) | — | |
| SCHEMBL8723797 | 0.68 | CES2 (0.31) | — | |
| SCHEMBL5052371 | 0.68 | — | — | |
| SCHEMBL1860106 | 0.68 | — | — | |
| SCHEMBL3366645 | 0.67 | CES2 (0.40) | — | |
| SCHEMBL2094249 | 0.64 | — | — | |
| SCHEMBL2815640 | 0.64 | — | — |
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-20100240713-A1 | AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS | XENON PHARMACEUTICALS INC. (CA) | 2010-09-23 | — | — | US | disclosed |