⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL188437 | 0.84 | — | — | |
| SCHEMBL525950 | 0.80 | — | — | |
| SCHEMBL9098417 | 0.80 | — | — | |
| SCHEMBL16955027 | 0.80 | — | — | |
| SCHEMBL19474739 | 0.80 | — | — | |
| SCHEMBL489588 | 0.80 | — | — | |
| SCHEMBL19463523 | 0.76 | — | — | |
| SCHEMBL476648 | 0.76 | MPL (0.40) | — | |
| SCHEMBL16952622 | 0.74 | GABRA1 (0.44) | — | |
| SCHEMBL2956794 | 0.74 | TSHR (0.38) | — |
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 |