⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6378038 | 0.89 | CXCR4 (0.47) | — | |
| Acetic Acid SCHEMBL17001322 | 0.84 | FFAR3 (0.33) | — | |
| Piperazine SCHEMBL9824675 | 0.83 | HIF1A (0.32) | — | |
| SCHEMBL7012368 | 0.82 | — | — | |
| SCHEMBL14222410 | 0.81 | — | — | |
| SCHEMBL14222411 | 0.81 | — | — | |
| SCHEMBL4515477 | 0.81 | — | — | |
| SCHEMBL10655755 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL25189965 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL7011180 | 0.79 | — | — |
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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113164630-A | Mark precursors with squaric acid linkage | SCV-特种化学品销售有限公司 | 2021-07-23 | — | — | CN | claimed |
| CN-114796533-A | Mark precursors with squaric acid linkage | SCV-特种化学品销售有限公司 | 2022-07-29 | — | — | CN | disclosed |
| CN-113164630-A | Mark precursors with squaric acid linkage | SCV-特种化学品销售有限公司 | 2021-07-23 | — | — | CN | disclosed |
| EP-2047841-B1 | HAIR DYE COMPOSITION | KAO CORP (JP) | 2016-10-26 | — | — | EP | disclosed |
| US-8540966-B2 | Contrast agents endowed with high relaxivity | BRACCO IMAGING S.P.A. (IT) | 2013-09-24 | — | — | US | disclosed |
| EP-1904460-B1 | MULTIDENTATE AZA LIGANDS ABLE TO COMPLEX METAL IONS AND THE USE THEREOF IN DIAGNOSTICS AND THERAPY | BRACCO IMAGING SPA (IT) | 2012-05-16 | — | — | EP | disclosed |
| US-8105567-B2 | Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy | BRACCO IMAGING SPA (IT) | 2012-01-31 | — | — | US | disclosed |
| US-20110256067-A1 | Contrast agents endowed with high relaxivity | BRACCO IMAGING SPA (IT) | 2011-10-20 | — | — | US | disclosed |
| EP-1803711-B1 | Process for the preparation of multidentate aza ligands able to complex metal ions | BRACCO IMAGING SPA (IT) | 2011-10-19 | — | — | EP | disclosed |
| US-7988950-B2 | Contrast agents endowed with high relaxivity for use in magnetic resonance imaging (MRI) which contain a chelating moiety with polyhydroxylated substituents | BRACCO IMAGING S.P.A. (IT) | 2011-08-02 | — | — | US | disclosed |
| EP-1765812-A1 | CONTRAST AGENTS ENDOWED WITH HIGH RELAXIVITY FOR USE IN MAGNETIC RESONANCE IMAGING (MRI) WHICH CONTAIN A CHELATING MOIETY WITH POLYHYDROXYLATED SUBSTITUENTS | Bracco Imaging, S.P.A. (IT) | 2007-03-28 | — | — | EP | disclosed |
| US-7186400-B2 | Multidentate aza ligands able to complex metal ions and the use thereof in diagnostics and therapy | BRACCO IMAGING S.P.A. (IT) | 2007-03-06 | — | — | US | disclosed |
| WO-2006136564-A1 | MULTIDENTATE AZA LIGANDS ABLE TO COMPLEX METAL IONS AND THE USE THEREOF IN DIAGNOSTICS AND THERAPY | BRACCO IMAGING S.P.A. (IT) | 2006-12-28 | — | — | WO | disclosed |
| US-20060034773-A1 | Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy | BRACCO IMAGING SPA (IT) | 2006-02-16 | — | — | US | disclosed |
| WO-2006002873-A2 | 1 , 4 -BIS (CARBOXYMETHYL) -6- ' BIS ( CARBOXYMETHYL) AMINO ! -6 -METHYL- PERHYDRO-1 , 4 DIAZEPINE (AAZTA) DERIVATIVES AS LIGANDS IN HIGH RELAXIVITY CONTRAST AGENTS FOR USE IN MAGNETIC RESONANCE IMAGING (MRI ) | BRACCO IMAGING SPA (IT) | 2006-01-12 | — | — | WO | disclosed |
| WO-2006002875-A1 | CONTRAST AGENTS ENDOWED WITH HIGH RELAXIVITY FOR USE IN MAGNETIC RESONANCE IMAGING (MRI) WHICH CONTAIN A CHELATING MOIETY WITH POLYHYDROXYLATED SUBSTITUENTS | BRACCO IMAGING SPA (IT) | 2006-01-12 | — | — | WO | disclosed |
| WO-2006002874-A1 | CONTRAST AGENTS ENDOWED WITH HIGH RELAXIVITY FOR USE IN MAGNETIC RESONANCE IMAGING (MRI) WHICH CONTAIN 1, 4, 7, 10-TERTRAAZACYCLODECAN-1, 4, 7-TRIACETIC ACID CHELATING MOIETY WITH POLYHYDROXYLATED SUBSTITUENTS | BRACCO IMAGING SPA (IT) | 2006-01-12 | — | — | WO | disclosed |
| US-20040156786-A1 | Multidentate aza ligands able to complex metal ions and the use therof in diagnostics and therapy | BRACCO IMAGING S.P.A. (IT) | 2004-08-12 | — | — | US | disclosed |
| EP-1417183-A1 | MULTIDENTATE AZA LIGANDS ABLE TO COMPLEX METAL IONS AND THE USE THEREOF IN DIAGNOSTICS AND THERAPY | BRACCO IMAGING S.p.A. (IT) | 2004-05-12 | — | — | EP | disclosed |
| WO-2003008390-A1 | MULTIDENTATE AZA LIGANDS ABLE TO COMPLEX METAL IONS AND THE USE THEREOF IN DIAGNOSTICS AND THERAPY | BRACCO IMAGING S.P.A. (IT) | 2003-01-30 | — | — | WO | disclosed |