⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14477350 | 0.97 | — | — | |
| SCHEMBL24936416 | 0.91 | — | — | |
| SCHEMBL13184612 | 0.88 | ALDH1A1 (0.31) | — | |
| SCHEMBL12964263 | 0.78 | — | — | |
| SCHEMBL13573716 | 0.78 | — | — | |
| SCHEMBL18654175 | 0.78 | — | — | |
| SCHEMBL10073331 | 0.78 | — | — | |
| SCHEMBL24080870 | 0.78 | — | — | |
| SCHEMBL14555981 | 0.76 | — | — | |
| SCHEMBL13624738 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1839056-B1 | DIAGNOSIS OF PREECLAMPSIA | UNIV YALE (US) | 2011-08-03 | — | — | EP | disclosed |
| US-7297551-B2 | Recombinant proteins and peptides for endotoxin biosensors, endotoxin removal, and anti-microbial and anti-endotoxin therapeutics | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2007-11-20 | — | — | US | disclosed |