⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1836307 | 1.00 | — | — | |
| Acrylic Acid SCHEMBL15842040 | 0.80 | LMNA (0.59) | — | |
| SCHEMBL4562799 | 0.73 | — | — | |
| SCHEMBL28127301 | 0.73 | — | — | |
| SCHEMBL13597017 | 0.72 | — | — | |
| SCHEMBL116832 | 0.70 | — | — | |
| SCHEMBL30980 | 0.70 | — | — | |
| SCHEMBL1155323 | 0.68 | — | — | |
| SCHEMBL4405927 | 0.67 | — | — | |
| SCHEMBL45611 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8431688-B2 | Synthetic peptide constructs for the diagnosis and treatment of Periodontitis associated with Porphyromonas gingivalis | THE UNIVERSITY OF MELBOURNE (AU) | 2013-04-30 | — | — | US | disclosed |