⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28205759 | 1.00 | — | — | |
| SCHEMBL29264793 | 1.00 | — | — | |
| SCHEMBL2589509 | 1.00 | — | — | |
| SCHEMBL140677 | 1.00 | — | — | |
| SCHEMBL140676 | 1.00 | — | — | |
| SCHEMBL23199793 | 0.82 | — | — | |
| SCHEMBL6045461 | 0.82 | — | — | |
| SCHEMBL11867808 | 0.82 | — | — | |
| SCHEMBL6579144 | 0.82 | — | — | |
| SCHEMBL11320149 | 0.82 | — | — |
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-2011138720-A2 | USE OF A SOLUBLE LITHIUM SALT AS A GLASS ETCHING INHIBITOR | ECOLAB USA INC. (US) | 2011-11-10 | — | — | WO | disclosed |