⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13656817 | 0.86 | — | — | |
| SCHEMBL8877015 | 0.78 | EPHX1 (0.30) | — | |
| SCHEMBL21235521 | 0.76 | EPHX1 (0.32) | — | |
| SCHEMBL469018 | 0.70 | EPHX1 (0.34) | — | |
| SCHEMBL21235585 | 0.67 | — | — | |
| SCHEMBL21810913 | 0.64 | TSHR (0.33) | — | |
| SCHEMBL13725084 | 0.62 | EPHX1 (0.31) | — | |
| SCHEMBL13656816 | 0.62 | ALDH1A1 (0.30) | — | |
| SCHEMBL15708164 | 0.61 | PAM (0.32) | — | |
| SCHEMBL17929733 | 0.61 | PGD (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120061325-A1 | CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS | THE CURATORS OF THE UNIVERSITY OF MISSOURI | 2012-03-15 | — | — | US | disclosed |
| US-8066883-B2 | Removing aluminum from solution using chelating compounds and immobilized tethered chelators | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2011-11-29 | — | — | US | disclosed |
| US-20110168636-A1 | CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS | THE CURATORS OF THE UNIVERSITY OF MISSOURI | 2011-07-14 | — | — | US | disclosed |
| US-7932326-B2 | Chelating compounds and immobilized tethered chelators | THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2011-04-26 | — | — | US | disclosed |
| US-20090261043-A1 | CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS | THE CURATORS OF THE UNIVERSITY OF MISSOURI | 2009-10-22 | — | — | US | disclosed |