⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5935763 | 0.76 | — | — | |
| SCHEMBL466114 | 0.76 | — | — | |
| SCHEMBL11937375 | 0.73 | — | — | |
| SCHEMBL8723531 | 0.73 | — | — | |
| SCHEMBL2632907 | 0.73 | — | — | |
| SCHEMBL18689667 | 0.73 | — | — | |
| SCHEMBL13375700 | 0.73 | — | — | |
| SCHEMBL3220152 | 0.72 | CYP3A4 (0.55) | — | |
| SCHEMBL6777122 | 0.72 | CYP3A4 (0.55) | — | |
| SCHEMBL12660894 | 0.72 | CYP3A4 (0.55) | — |
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-6562969-B1 | Ricin A-chain is an N-glycosidase that attacks ribosomal RNA at a highly conserved adenine residue. Crystallographic studies show that not only adenine and formycin, but also pterin-based rings can bind in the ricin active site. | RESEARCH DEVELOPMENT FOUNDATION | 2003-05-13 | — | — | US | disclosed |