⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL597696 | 0.96 | — | — | |
| SCHEMBL18187385 | 0.96 | — | — | |
| SCHEMBL28021519 | 0.92 | — | — | |
| SCHEMBL28021521 | 0.92 | — | — | |
| SCHEMBL28021989 | 0.92 | — | — | |
| Phosphonic Acid SCHEMBL4532461 | 0.92 | — | — | |
| Zinc Ion SCHEMBL28021990 | 0.92 | — | — | |
| SCHEMBL18187097 | 0.88 | — | — | |
| SCHEMBL18187078 | 0.87 | — | — | |
| SCHEMBL18188042 | 0.87 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104743538-B | Microwave-assisted preparation method for spherical transition metal and zirconium diphosphonate in one step | 东华大学 | 2017-01-18 | — | — | CN | disclosed |
| CN-104743538-A | Microwave-assisted preparation method for spherical transition metal and zirconium diphosphonate in one step | NAT UNIV DONG HWA | 2015-07-01 | — | — | CN | disclosed |