⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2956313 | 0.69 | — | — | |
| SCHEMBL1425201 | 0.69 | — | — | |
| SCHEMBL15452637 | 0.67 | — | — | |
| SCHEMBL14421391 | 0.67 | — | — | |
| SCHEMBL22326434 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL1760838 | 0.67 | — | — | |
| SCHEMBL9848158 | 0.67 | — | — | |
| SCHEMBL4109893 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL29653351 | 0.67 | — | — | |
| Bromide SCHEMBL9387001 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1818325-A2 | 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands | SCHERING CORPORATION (US) | 2007-08-15 | — | — | EP | disclosed |