⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1703756 | 1.00 | — | — | |
| SCHEMBL9112886 | 1.00 | — | — | |
| SCHEMBL17771870 | 1.00 | — | — | |
| SCHEMBL18744678 | 0.97 | THRB (0.45) | — | |
| SCHEMBL1703212 | 0.97 | THRB (0.45) | — | |
| SCHEMBL20877636 | 0.97 | THRB (0.45) | — | |
| SCHEMBL13282251 | 0.94 | — | — | |
| SCHEMBL1703099 | 0.94 | — | — | |
| SCHEMBL20402373 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL5626475 | 0.92 | — | — |
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 2 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 |