⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12076717 | 0.74 | — | — | |
| SCHEMBL12076718 | 0.74 | — | — | |
| SCHEMBL128334 | 0.59 | — | — | |
| SCHEMBL672185 | 0.57 | — | — | |
| SCHEMBL1071219 | 0.57 | CCR1 (0.48) | — | |
| SCHEMBL5586604 | 0.57 | — | — | |
| SCHEMBL788891 | 0.56 | — | — | |
| SCHEMBL3573509 | 0.56 | — | — | |
| SCHEMBL3234401 | 0.55 | TSHR (0.50) | — | |
| SCHEMBL9779787 | 0.54 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2065057-A2 | Chelating conjugates having a substituted aromatic moiety and derivatives thereof | Mallinckrodt Inc. (US) | 2009-06-03 | — | — | EP | claimed |
| US-20090053137-A1 | Chelating Conjugates Having a Substituted Aromatic Moiety and Derivatives Thereof | SpecGx LLC | 2009-02-26 | — | — | US | claimed |
| EP-1993613-A2 | CHELATING CONJUGATES HAVING A SUBSTITUTED AROMATIC MOIETY AND DERIVATIVES THEREOF | Mallinckrodt, Inc. (US) | 2008-11-26 | — | — | EP | claimed |
| WO-2007106544-A2 | CHELATING CONJUGATES HAVING A SUBSTITUTED AROMATIC MOIETY AND DERIVATIVES THEREOF | MALLINCKRODT INC. (US) | 2007-09-20 | — | — | WO | claimed |
| US-9217009-B2 | Version of FDG detectable by single-photon emission computed tomography | MALLINCKRODT LLC (US) | 2015-12-22 | — | — | US | disclosed |
| US-20140378677-A1 | VERSION OF FDG DETECTABLE BY SINGLE-PHOTON EMISSION COMPUTED TOMOGRAPHY | MALLINCKRODT VETERINARY, INC. | 2014-12-25 | — | — | US | disclosed |
| US-8858916-B2 | Metal chelate linked to a hexose carrier for use as a metallopharmaceutical diagnostic or therapeutic agent | MALLINCKRODT LLC (US) | 2014-10-14 | — | — | US | disclosed |
| US-20110177004-A1 | Version of FDG Detectable by Single-Photon Emission Computed Tomography | OCERA THERAPEUTICS LLC (F/K/A OCERA THERAPEUTICS, INC.) | 2011-07-21 | — | — | US | disclosed |
| EP-2341944-A2 | CONJUGATES OF HEXOSE AND METAL COORDINATING COMPOUNDS FOR IMAGING PURPOSES | Mallinckrodt Inc. (US) | 2011-07-13 | — | — | EP | disclosed |
| WO-2010039609-A2 | A VERSION OF FDG DETECTABLE BY SINGLE-PHOTON EMISSION COMPUTED TOMOGRAPHY | MALLINCKRODT INC. (US) | 2010-04-08 | — | — | WO | disclosed |
| EP-2065057-A3 | Chelating conjugates having a substituted aromatic moiety and derivatives thereof | Mallinckrodt Inc. (US) | 2009-08-12 | — | — | EP | disclosed |
| EP-2065057-A2 | Chelating conjugates having a substituted aromatic moiety and derivatives thereof | Mallinckrodt Inc. (US) | 2009-06-03 | — | — | EP | disclosed |
| EP-2065057-A2 | Chelating conjugates having a substituted aromatic moiety and derivatives thereof | Mallinckrodt Inc. (US) | 2009-06-03 | — | — | EP | disclosed |
| US-20090053137-A1 | Chelating Conjugates Having a Substituted Aromatic Moiety and Derivatives Thereof | SpecGx LLC | 2009-02-26 | — | — | US | disclosed |
| EP-1993613-A2 | CHELATING CONJUGATES HAVING A SUBSTITUTED AROMATIC MOIETY AND DERIVATIVES THEREOF | Mallinckrodt, Inc. (US) | 2008-11-26 | — | — | EP | disclosed |
| WO-2007106544-A2 | CHELATING CONJUGATES HAVING A SUBSTITUTED AROMATIC MOIETY AND DERIVATIVES THEREOF | MALLINCKRODT INC. (US) | 2007-09-20 | — | — | WO | disclosed |