⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2008657 | 0.75 | — | — | |
| SCHEMBL12570720 | 0.75 | — | — | |
| SCHEMBL14615220 | 0.73 | DPP4 (0.39) | — | |
| SCHEMBL4323321 | 0.73 | DPP4 (0.39) | — | |
| SCHEMBL12319422 | 0.73 | — | — | |
| SCHEMBL14286167 | 0.72 | — | — | |
| SCHEMBL14615159 | 0.71 | CETP (0.37) | — | |
| SCHEMBL4325166 | 0.70 | — | — | |
| SCHEMBL4332193 | 0.70 | — | — | |
| SCHEMBL12319423 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008027604-A2 | PRODUCTION PROCESSES AND SYSTEMS, COMPOSITIONS, SURFACTANTS MONOMER UNITS, METAL COMPLEXES, PHOSPHATE ESTERS, GLYCOLS, AQUEOUS FILM FORMING FOAMS AND FOAM STABILIZERS | GREAT LAKES CHEMICAL CORPORATION (US) | 2008-03-06 | — | — | WO | disclosed |