⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL243877 | 0.94 | — | — | |
| SCHEMBL27751833 | 0.94 | — | — | |
| Fluoride SCHEMBL7547019 | 0.94 | — | — | |
| SCHEMBL11618309 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL28219455 | 0.89 | — | — | |
| SCHEMBL17785150 | 0.88 | — | — | |
| SCHEMBL27905130 | 0.88 | — | — | |
| SCHEMBL2059771 | 0.88 | — | — | |
| Water SCHEMBL220756 | 0.88 | — | — | |
| Fluoride SCHEMBL28310275 | 0.88 | — | — |
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-2010144972-A1 | A CATALYTIC MATERIAL, METHOD OF MANUFACTURE AND METHOD OF USE | NEWSQUARE TRADING LIMITED (CN) | 2010-12-23 | — | — | WO | disclosed |