⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2812624 | 0.61 | — | — | |
| SCHEMBL20088329 | 0.54 | — | — | |
| Ethylene SCHEMBL38297 | 0.39 | — | — | |
| SCHEMBL2362493 | 0.39 | KDM4E (0.41) | — | |
| SCHEMBL9738500 | 0.37 | — | — | |
| SCHEMBL11730161 | 0.37 | — | — | |
| SCHEMBL497107 | 0.32 | — | — | |
| SCHEMBL4753066 | 0.32 | — | — | |
| SCHEMBL5446 | 0.32 | — | — | |
| SCHEMBL61080 | 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 |
|---|---|---|---|---|---|---|---|
| US-20100240713-A1 | AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS | XENON PHARMACEUTICALS INC. (CA) | 2010-09-23 | — | — | US | disclosed |