⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26202993 | 0.90 | LDHA (0.36) | — | |
| SCHEMBL26487698 | 0.84 | TPSAB1 (0.42) | — | |
| SCHEMBL2554762 | 0.78 | ECE1 (0.43) | — | |
| SCHEMBL24427061 | 0.77 | — | — | |
| SCHEMBL11921768 | 0.75 | LDHA (0.50) | — | |
| SCHEMBL8187940 | 0.75 | — | — | |
| SCHEMBL12036660 | 0.75 | LDHA (0.50) | — | |
| SCHEMBL13904207 | 0.74 | — | — | |
| SCHEMBL27004520 | 0.74 | PAOX (0.45) | — | |
| SCHEMBL6471153 | 0.73 | LDHA (0.47) | — |
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-8367389-B2 | Methods, compositions and devices utilizing structurally stable cyanuric acid hydrolase | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 2013-02-05 | — | — | US | disclosed |