⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4715479 | 0.74 | DAO (0.47) | — | |
| SCHEMBL7819517 | 0.71 | DAO (0.50) | — | |
| SCHEMBL4671779 | 0.70 | — | — | |
| SCHEMBL25475738 | 0.69 | L3MBTL1 (0.47) | — | |
| SCHEMBL17196892 | 0.69 | — | — | |
| SCHEMBL2229796 | 0.69 | L3MBTL1 (0.47) | — | |
| Bromide SCHEMBL25183746 | 0.68 | HIF1A (0.45) | — | |
| SCHEMBL27343 | 0.67 | CYP3A4 (0.50) | — | |
| SCHEMBL23782476 | 0.67 | GAA (0.53) | — | |
| SCHEMBL11044528 | 0.66 | CYP3A4 (0.39) | — |
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-8216968-B2 | Coordination complex system comprising building blocks | UNIVERSITEIT VAN AMSTERDAM (NL) | 2012-07-10 | — | — | US | disclosed |