⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL538571 | 0.75 | — | — | |
| SCHEMBL3062385 | 0.75 | — | — | |
| SCHEMBL2084320 | 0.71 | — | — | |
| SCHEMBL13734493 | 0.71 | — | — | |
| SCHEMBL6716058 | 0.71 | — | — | |
| SCHEMBL11455637 | 0.71 | — | — | |
| SCHEMBL11095007 | 0.71 | — | — | |
| SCHEMBL4989309 | 0.71 | — | — | |
| SCHEMBL5944671 | 0.71 | MAPT (0.34) | — | |
| SCHEMBL5944842 | 0.71 | MAPT (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8334320-B2 | Methods for chelation therapy | UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) | 2012-12-18 | — | — | US | disclosed |
| US-20100310460-A1 | COMPOSITIONS AND METHODS FOR CHELATION THERAPY | LIU GANG | 2010-12-09 | — | — | US | disclosed |
| US-7728038-B2 | Methods for chelation therapy | UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) | 2010-06-01 | — | — | US | disclosed |
| US-20060030619-A1 | Compositions and methods for chelation therapy | UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) | 2006-02-09 | — | — | US | disclosed |