⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL665301 | 0.95 | — | — | |
| Water SCHEMBL913669 | 0.89 | — | — | |
| Water SCHEMBL5096998 | 0.89 | — | — | |
| Water SCHEMBL664054 | 0.89 | — | — | |
| SCHEMBL912940 | 0.89 | — | — | |
| SCHEMBL314838 | 0.88 | — | — | |
| SCHEMBL28726331 | 0.88 | — | — | |
| SCHEMBL5443044 | 0.88 | — | — | |
| Water SCHEMBL665702 | 0.84 | — | — | |
| Fluoride SCHEMBL665696 | 0.84 | — | — |
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 |