⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL829486 | 0.83 | — | — | |
| SCHEMBL27941690 | 0.74 | TAAR1 (0.45) | — | |
| SCHEMBL9022971 | 0.71 | — | — | |
| SCHEMBL9769265 | 0.71 | — | — | |
| SCHEMBL27199094 | 0.71 | ALOX15 (0.38) | — | |
| SCHEMBL15978541 | 0.71 | IDH1 (0.53) | — | |
| SCHEMBL27199091 | 0.69 | NPSR1 (0.40) | — | |
| SCHEMBL2735672 | 0.69 | — | — | |
| SCHEMBL28247467 | 0.69 | — | — | |
| SCHEMBL9769257 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7964646-B2 | 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands | SCHERING CORPORATION (US) | 2011-06-21 | — | — | US | disclosed |
| US-20090306079-A1 | 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS | SCHERING CORPORATION | 2009-12-10 | — | — | US | disclosed |
| US-20070021494-A1 | 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands | SCHERING CORPORATION AND PHARMACOPEIA, INC. | 2007-01-25 | — | — | US | disclosed |