⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6028239 | 0.81 | — | — | |
| SCHEMBL1170752 | 0.80 | — | — | |
| SCHEMBL709098 | 0.80 | — | — | |
| SCHEMBL14656830 | 0.72 | — | — | |
| SCHEMBL10888755 | 0.70 | — | — | |
| SCHEMBL2784307 | 0.70 | — | — | |
| Acetic Acid SCHEMBL28930541 | 0.70 | — | — | |
| SCHEMBL303733 | 0.70 | — | — | |
| SCHEMBL10580147 | 0.70 | — | — | |
| SCHEMBL8723434 | 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-2009055628-A1 | PROCESS AND MATERIALS FOR MAKING CONTAINED LAYERS AND DEVICES MADE WITH SAME | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-04-30 | — | — | WO | disclosed |