⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1746 | 1.00 | — | — | |
| SCHEMBL5544690 | 1.00 | MEN1 (0.42) | — | |
| Fluoride SCHEMBL73855 | 0.96 | MEN1 (0.40) | — | |
| Iodide SCHEMBL115029 | 0.96 | MEN1 (0.40) | — | |
| Fluoride SCHEMBL1025917 | 0.96 | MEN1 (0.40) | — | |
| SCHEMBL319537 | 0.96 | MEN1 (0.40) | — | |
| SCHEMBL3210291 | 0.96 | MEN1 (0.40) | — | |
| SCHEMBL2232066 | 0.96 | MEN1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL22577541 | 0.96 | MEN1 (0.40) | — | |
| Ammonia Solution, Strong SCHEMBL1997314 | 0.96 | MEN1 (0.40) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030208061-A1 | Labeled oligonucleotides, methods for making same, and compounds useful therefor | ISIS PHARMACEUTICALS, INC. | 2003-11-06 | — | — | US | disclosed |
| EP-0954320-A4 | INOSITOL POLYPHOSPHATE DERIVATIVES AND METHODS OF USING SAME | UNIV CALIFORNIA (US) | 2001-04-04 | — | — | EP | disclosed |
| EP-0954320-A1 | INOSITOL POLYPHOSPHATE DERIVATIVES AND METHODS OF USING SAME | The Regents of the University of California (US) | 1999-11-10 | — | — | EP | disclosed |
| US-5977078-A | CELL PERMEABLE ANTAGONIST | THE REGENTS OF THE UNIVESITY OF CALIFORNIA (US) | 1999-11-02 | — | — | US | disclosed |
| WO-1998011901-A1 | INOSITOL POLYPHOSPHATE DERIVATIVES AND METHODS OF USING SAME | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1998-03-26 | — | — | WO | disclosed |
| US-5578594-A | ANTICOAGULANTS | HOFFMANN-LA ROCHE INC. (US) | 1996-11-26 | — | — | US | disclosed |