⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5517191 | 0.96 | CA2 (0.50) | — | |
| SCHEMBL57512 | 0.96 | — | — | |
| SCHEMBL3964737 | 0.92 | — | — | |
| Fluoride SCHEMBL28182688 | 0.92 | — | — | |
| Methane SCHEMBL27480065 | 0.92 | — | — | |
| Water SCHEMBL11567541 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL4007788 | 0.92 | — | — | |
| SCHEMBL28655375 | 0.92 | — | — | |
| SCHEMBL6363437 | 0.92 | — | — | |
| SCHEMBL28099342 | 0.92 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101412558-A | Poly(barium aluminum chloride sulphate), and preparation thereof and method for treating sewerage by using same | ZHANYIN QIAO (CN) | 2009-04-22 | — | — | CN | disclosed |