⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL526933 | 0.75 | — | — | |
| SCHEMBL971458 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL11238332 | 0.73 | — | — | |
| SCHEMBL8022662 | 0.72 | — | — | |
| SCHEMBL9712271 | 0.71 | — | — | |
| SCHEMBL10511144 | 0.69 | — | — | |
| SCHEMBL11327520 | 0.68 | — | — | |
| SCHEMBL10490404 | 0.68 | — | — | |
| SCHEMBL10490394 | 0.68 | — | — | |
| SCHEMBL28985809 | 0.68 | TSHR (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20050234257-A1 | Facile synthesis of symmetric esters of alkylenebisphosphonic acids | LOYOLA UNIVERSITY OF CHICAGO | 2005-10-20 | — | — | US | disclosed |