⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3217381 | 0.79 | — | — | |
| SCHEMBL18090598 | 0.78 | — | — | |
| SCHEMBL1396798 | 0.78 | — | — | |
| SCHEMBL24760210 | 0.77 | NPC1 (0.32) | — | |
| SCHEMBL14275878 | 0.76 | — | — | |
| SCHEMBL28513197 | 0.75 | — | — | |
| SCHEMBL14777798 | 0.75 | — | — | |
| SCHEMBL3093359 | 0.75 | — | — | |
| SCHEMBL469527 | 0.74 | — | — | |
| SCHEMBL26138064 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012031933-A2 | DERIVATIZATION OF HYDROXYACETALS AND HYDROXYACETAL MIXTURES | COGNIS IP MANAGEMENT GMBH (DE) | 2012-03-15 | — | — | WO | disclosed |