⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL768468 | 0.77 | — | — | |
| SCHEMBL11745104 | 0.67 | — | — | |
| SCHEMBL7660252 | 0.67 | — | — | |
| SCHEMBL26114 | 0.67 | — | — | |
| SCHEMBL22468933 | 0.67 | — | — | |
| SCHEMBL10241657 | 0.67 | — | — | |
| SCHEMBL7569133 | 0.67 | — | — | |
| SCHEMBL1250877 | 0.67 | — | — | |
| SCHEMBL506597 | 0.67 | — | — | |
| SCHEMBL19432175 | 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-20050288257-A1 | Novel stable compositions of water and oxygen sensitive compounds and their method of preparation | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2005-12-29 | — | — | US | disclosed |