⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18633598 | 0.72 | — | — | |
| SCHEMBL8048231 | 0.72 | — | — | |
| SCHEMBL25890990 | 0.65 | — | — | |
| Hypochlorous Acid SCHEMBL11416657 | 0.64 | — | — | |
| SCHEMBL1355803 | 0.62 | — | — | |
| SCHEMBL24223376 | 0.62 | — | — | |
| SCHEMBL1409873 | 0.62 | — | — | |
| SCHEMBL22181497 | 0.62 | — | — | |
| SCHEMBL25464580 | 0.62 | — | — | |
| SCHEMBL4008549 | 0.61 | SLC7A5 (0.32) | — |
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-2019844-A2 | METHOD OF PURIFYING BLOCK COPOLYMERS | The University of Akron (US) | 2009-02-04 | — | — | EP | disclosed |
| WO-2007136700-A2 | METHOD OF PURIFYING BLOCK COPOLYMERS | THE UNIVERSITY OF AKRON (US) | 2007-11-29 | — | — | WO | disclosed |