⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6131572 | 0.89 | — | — | |
| SCHEMBL8473055 | 0.87 | PAOX (0.32) | — | |
| SCHEMBL8473054 | 0.87 | PAOX (0.32) | — | |
| SCHEMBL6131578 | 0.77 | CYP2D6 (0.32) | — | |
| SCHEMBL7128026 | 0.75 | POLB (0.35) | — | |
| SCHEMBL6131541 | 0.74 | — | — | |
| SCHEMBL6131544 | 0.74 | — | — | |
| SCHEMBL6131596 | 0.71 | — | — | |
| SCHEMBL28469015 | 0.70 | PAOX (0.31) | — | |
| SCHEMBL19490507 | 0.69 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6660246-B1 | 3,3,9,9-Tetramethyl-4,8-diazaundecane-2,10-dione 2-Hydrazone 10-Oxime; | BRACCO INTERNATIONAL, BV (NL) | 2003-12-09 | — | — | US | disclosed |
| EP-0688313-B1 | LIGANDS AND METAL COMPLEXES THEREOF | BRACCO INT BV (NL) | 1998-04-08 | — | — | EP | disclosed |
| US-5663307-A | Hydrazone containing ligands and metal complexes thereof | BRACCO INTERNATIONAL B.V. | 1997-09-02 | — | — | US | disclosed |
| US-5651954-A | Method of using hydrazone containing ligands and metal complexes thereof | BRACCO INTERNATIONAL B.V. (NL) | 1997-07-29 | — | — | US | disclosed |
| EP-0688313-A1 | LIGANDS AND METAL COMPLEXES THEREOF | BRACCO International B.V. (NL) | 1995-12-27 | — | — | EP | disclosed |
| WO-1995019338-A1 | LIGANDS AND METAL COMPLEXES THEREOF | BRACCO INTERNATIONAL B.V. (NL) | 1995-07-20 | — | — | WO | disclosed |