⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15763701 | 0.89 | — | — | |
| SCHEMBL10311017 | 0.89 | — | — | |
| SCHEMBL10311018 | 0.85 | — | — | |
| SCHEMBL10311008 | 0.77 | — | — | |
| SCHEMBL10311013 | 0.73 | — | — | |
| SCHEMBL15763702 | 0.72 | — | — | |
| SCHEMBL10311009 | 0.70 | — | — | |
| SCHEMBL10311016 | 0.70 | — | — | |
| SCHEMBL13626689 | 0.70 | — | — | |
| SCHEMBL13625826 | 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 |
|---|---|---|---|---|---|---|---|
| US-20120178710-A1 | SYNTHESIS OF CYCLIC DIGUANOSINE MONOPHOSPHATE AND THIOPHOSPHATE ANALOGS THEREOF | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2012-07-12 | — | — | US | disclosed |