⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6253196 | 0.75 | — | — | |
| SCHEMBL6253198 | 0.75 | — | — | |
| SCHEMBL18266153 | 0.72 | — | — | |
| SCHEMBL13780100 | 0.72 | FFAR3 (0.30) | — | |
| SCHEMBL22995717 | 0.70 | — | — | |
| SCHEMBL12859161 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL22649363 | 0.69 | FFAR3 (0.35) | — | |
| SCHEMBL19451624 | 0.69 | — | — | |
| SCHEMBL1589 | 0.67 | — | — | |
| SCHEMBL1533836 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2013042139-A1 | AMIDE COMPOUNDS, COMPOSITIONS AND APPLICATIONS THEREOF | ADVINUS THERAPEUTICS LIMITED (IN) | 2013-03-28 | — | — | WO | disclosed |