⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17089347 | 0.92 | TSHR (0.32) | — | |
| SCHEMBL469080 | 0.77 | TSHR (0.31) | — | |
| SCHEMBL26558796 | 0.74 | TSHR (0.40) | — | |
| SCHEMBL22811004 | 0.74 | TSHR (0.40) | — | |
| SCHEMBL436809 | 0.71 | TSHR (0.40) | — | |
| SCHEMBL6537419 | 0.66 | TSHR (0.41) | — | |
| SCHEMBL440075 | 0.66 | TSHR (0.38) | — | |
| SCHEMBL437906 | 0.65 | TSHR (0.43) | — | |
| SCHEMBL439836 | 0.64 | TSHR (0.32) | — | |
| SCHEMBL4060095 | 0.63 | TSHR (0.67) | — |
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-20120061325-A1 | CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS | THE CURATORS OF THE UNIVERSITY OF MISSOURI | 2012-03-15 | — | — | US | disclosed |