⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15763700 | 0.85 | — | — | |
| SCHEMBL17265254 | 0.68 | — | — | |
| SCHEMBL17265346 | 0.65 | — | — | |
| SCHEMBL12179745 | 0.65 | — | — | |
| SCHEMBL16016882 | 0.63 | — | — | |
| SCHEMBL3729417 | 0.61 | — | — | |
| SCHEMBL3733127 | 0.61 | — | — | |
| SCHEMBL3729414 | 0.61 | — | — | |
| SCHEMBL13625826 | 0.60 | — | — | |
| SCHEMBL18267339 | 0.59 | — | — |
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 |