⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11242973 | 0.74 | — | — | |
| SCHEMBL17459882 | 0.72 | — | — | |
| SCHEMBL11329967 | 0.72 | — | — | |
| SCHEMBL17467119 | 0.72 | — | — | |
| SCHEMBL15127843 | 0.67 | — | — | |
| SCHEMBL14791404 | 0.67 | — | — | |
| SCHEMBL13803653 | 0.67 | — | — | |
| SCHEMBL14786736 | 0.65 | — | — | |
| SCHEMBL10292569 | 0.65 | — | — | |
| SCHEMBL24931673 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9993490-B2 | Phosphonic acid compounds and screening method | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2018-06-12 | — | — | US | disclosed |
| US-20170202863-A1 | PHOSPHONIC ACID COMPOUNDS AND SCREENING METHOD | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS | 2017-07-20 | — | — | US | disclosed |