⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL437776 | 0.92 | — | — | |
| SCHEMBL30140506 | 0.73 | ALDH1A1 (0.36) | — | |
| SCHEMBL594044 | 0.73 | TSHR (0.35) | — | |
| SCHEMBL17530083 | 0.71 | KIF11 (0.34) | — | |
| SCHEMBL11221623 | 0.71 | — | — | |
| SCHEMBL30893155 | 0.71 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL835470 | 0.71 | — | — | |
| SCHEMBL11244658 | 0.71 | TSHR (0.39) | — | |
| SCHEMBL11126281 | 0.71 | — | — | |
| SCHEMBL940386 | 0.71 | — | — |
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-9139456-B2 | Chelating compounds and immobilized tethered chelators | THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) | 2015-09-22 | — | — | US | disclosed |
| US-9139456-B2 | Chelating compounds and immobilized tethered chelators | THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) | 2015-09-22 | — | — | US | disclosed |
| 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 |