⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12130545 | 0.83 | — | — | |
| SCHEMBL8585535 | 0.71 | — | — | |
| SCHEMBL8434 | 0.71 | — | — | |
| SCHEMBL24845 | 0.71 | — | — | |
| Iodide SCHEMBL8990166 | 0.61 | — | — | |
| SCHEMBL9436638 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL4962438 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL1476890 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL4432819 | 0.61 | — | — | |
| Iodide SCHEMBL6028354 | 0.61 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120077694-A1 | TARGETS IN BREAST CANCER FOR PROGNOSIS OR THERAPY | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2012-03-29 | — | — | US | disclosed |
| US-8065092-B2 | Methods for analyzing high dimensional data for classifying, diagnosing, prognosticating, and/or predicting diseases and other biological states | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2011-11-22 | — | — | US | disclosed |
| US-7655397-B2 | Analyzing genes expressed in tumor cells, then contrasting with healthy cells and sreening for drugs such as vaccines or antibodies | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2010-02-02 | — | — | US | disclosed |
| US-20090203051-A1 | TARGETS IN BREAST CANCER FOR PROGNOSIS OR THERAPY | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2009-08-13 | — | — | US | disclosed |
| US-20080108600-A1 | Polycyclic Pyridines as Potassium Ion Channel Modulators | ICAGEN, INC. (US) | 2008-05-08 | — | — | US | disclosed |