⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17336299 | 0.89 | — | — | |
| SCHEMBL6014756 | 0.80 | — | — | |
| SCHEMBL15333 | 0.76 | — | — | |
| SCHEMBL10425917 | 0.76 | FDPS (0.31) | — | |
| SCHEMBL4659844 | 0.74 | — | — | |
| SCHEMBL24233384 | 0.71 | — | — | |
| SCHEMBL6128086 | 0.71 | — | — | |
| SCHEMBL9469219 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL5586398 | 0.71 | — | — | |
| SCHEMBL2194227 | 0.71 | — | — |
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-2005108457-A1 | DIHYDROXYACETONE-BASED POLYMERS | CORNELL RESEARCH FOUNDATION, INC. (US) | 2005-11-17 | — | — | WO | disclosed |