⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15252917 | 0.94 | — | — | |
| SCHEMBL15251774 | 0.85 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL15251859 | 0.83 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL17084577 | 0.83 | — | — | |
| SCHEMBL25355536 | 0.79 | WNT1 (0.39) | — | |
| SCHEMBL16428073 | 0.75 | BCHE (0.36) | — | |
| SCHEMBL16427933 | 0.75 | BCHE (0.36) | — | |
| SCHEMBL16437016 | 0.74 | — | — | |
| SCHEMBL3700587 | 0.72 | PLA2G10 (0.38) | — | |
| SCHEMBL490862 | 0.71 | CACNA1H (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9259491-B2 | Class of diazepine derivative chelating agents and complexes with paramagnetic metals thereof as MRI contrast agents | BRACCO IMAGING S.P.A. (IT) | 2016-02-16 | — | — | US | disclosed |
| US-20150037261-A1 | New Class Of Diazepine Derivative Chelating Agents And Complexes With Paramagnetic Metals Thereof As MRI Contrast Agents | BRACCO IMAGING S.P.A. (IT) | 2015-02-05 | — | — | US | disclosed |