⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6090956 | 0.67 | — | — | |
| SCHEMBL11262365 | 0.65 | — | — | |
| Carbon Dioxide SCHEMBL28309913 | 0.57 | — | — | |
| SCHEMBL1751874 | 0.56 | — | — | |
| SCHEMBL2995 | 0.56 | — | — | |
| SCHEMBL10956161 | 0.54 | — | — | |
| SCHEMBL16237760 | 0.53 | — | — | |
| SCHEMBL121159 | 0.53 | — | — | |
| SCHEMBL28120931 | 0.53 | — | — | |
| SCHEMBL1483243 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991002741-A1 | SUGAR ALCOHOL DERIVATIVES, A PROCESS FOR PREPARING 3-DEOXY-2-OCTULOSONIC ACID AND 3-DEOXY-2-HEPTULOSONIC ACID COMPOUNDS AND DERIVATIVES | RIJKSUNIVERSITEIT TE LEIDEN (NL) | 1991-03-07 | — | — | WO | claimed |
| WO-1991002741-A1 | SUGAR ALCOHOL DERIVATIVES, A PROCESS FOR PREPARING 3-DEOXY-2-OCTULOSONIC ACID AND 3-DEOXY-2-HEPTULOSONIC ACID COMPOUNDS AND DERIVATIVES | RIJKSUNIVERSITEIT TE LEIDEN (NL) | 1991-03-07 | — | — | WO | disclosed |