⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL231107 | 0.84 | — | — | |
| SCHEMBL1005748 | 0.82 | — | — | |
| SCHEMBL16952831 | 0.80 | — | — | |
| SCHEMBL7990852 | 0.80 | — | — | |
| SCHEMBL7990103 | 0.80 | — | — | |
| SCHEMBL3196056 | 0.80 | — | — | |
| SCHEMBL1005275 | 0.80 | — | — | |
| SCHEMBL11464954 | 0.77 | ACHE (0.33) | — | |
| SCHEMBL15515317 | 0.76 | CA1 (0.48) | — | |
| SCHEMBL16956557 | 0.76 | ALDH1A1 (0.35) | — |
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 |