⚠ 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL7707402 | 0.89 | CYP1A2 (0.36) | — | |
| SCHEMBL14433093 | 0.86 | — | — | |
| SCHEMBL30496483 | 0.83 | — | — | |
| SCHEMBL1169064 | 0.79 | — | — | |
| SCHEMBL1639826 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL23478346 | 0.75 | — | — | |
| Water SCHEMBL19458398 | 0.75 | — | — | |
| Bromide SCHEMBL19458438 | 0.75 | — | — | |
| Fluoride SCHEMBL19458344 | 0.75 | — | — | |
| Iodide SCHEMBL19458347 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107898829-A | Advanced glycation end products decomposition agent | 吉林农业大学 | 2018-04-13 | — | — | CN | disclosed |
| US-20100086513-A1 | Method for Effecting Antimicrobial Activity Using Polyamine Analogues | OLIVEIRA MARCOS A | 2010-04-08 | — | — | US | disclosed |