⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5072864 | 0.53 | — | — | |
| SCHEMBL8098700 | 0.41 | — | — | |
| SCHEMBL356245 | 0.41 | — | — | |
| Carbon Dioxide SCHEMBL786830 | 0.40 | — | — | |
| SCHEMBL3982614 | 0.40 | — | — | |
| Carbon Dioxide SCHEMBL2697597 | 0.36 | — | — | |
| Carbon Dioxide SCHEMBL7762642 | 0.36 | — | — | |
| Carbon Dioxide SCHEMBL451692 | 0.36 | — | — | |
| Carbon Dioxide SCHEMBL2832505 | 0.36 | — | — | |
| Carbon Dioxide SCHEMBL11138136 | 0.36 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7989649-B2 | Tumor imaging compounds | EMORY UNIVERSITY (US) | 2011-08-02 | — | — | US | disclosed |
| WO-2010135493-A2 | ALZHEIMER'S DISEASE IMAGING AGENTS | EMORY UNIVERSITY (US) | 2010-11-25 | — | — | WO | disclosed |
| EP-1499584-B1 | TUMOR IMAGING COMPOUNDS | UNIV EMORY (US) | 2010-08-18 | — | — | EP | disclosed |
| US-20090240041-A1 | TUMOR IMAGING COMPOUNDS | EMORY UNIVERSITY (US) | 2009-09-24 | — | — | US | disclosed |
| US-7544715-B2 | Tumor imaging compounds | EMORY UNIVERSITY (US) | 2009-06-09 | — | — | US | disclosed |
| EP-1499584-A4 | TUMOR IMAGING COMPOUNDS | UNIV EMORY (US) | 2007-08-15 | — | — | EP | disclosed |
| US-20050192458-A1 | radiolabeled amino acids for use as metabolic tracers to image tumors using positron emission tomography; combine the advantageous properties of alpha -aminoisobutyric acid analogs namely, their rapid uptake and prolonged retention in tumors with the properties of halogen sustituents | EMORY UNIVERSITY | 2005-09-01 | — | — | US | disclosed |
| EP-1499584-A2 | TUMOR IMAGING COMPOUNDS | Emory University (US) | 2005-01-26 | — | — | EP | disclosed |
| WO-2003093412-A2 | TUMOR IMAGING COMPOUNDS | EMORY UNIVERSITY (US) | 2003-11-13 | — | — | WO | disclosed |