⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2098028 | 0.92 | — | — | |
| SCHEMBL7590401 | 0.74 | ALDH1A1 (0.48) | — | |
| Ethyne SCHEMBL28084460 | 0.70 | ALDH1A1 (0.57) | — | |
| SCHEMBL26115 | 0.69 | — | — | |
| SCHEMBL341533 | 0.69 | ALDH1A1 (0.67) | — | |
| SCHEMBL2034088 | 0.67 | — | — | |
| SCHEMBL2095945 | 0.67 | — | — | |
| Cyanide SCHEMBL30050757 | 0.67 | ALDH1A1 (0.53) | — | |
| Cyanide SCHEMBL28115703 | 0.67 | ALDH1A1 (0.53) | — | |
| SCHEMBL432545 | 0.67 | RAPGEF4 (0.45) | — |
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 |