⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL929348 | 0.61 | — | — | |
| SCHEMBL372757 | 0.61 | — | — | |
| Iodide SCHEMBL9818601 | 0.55 | — | — | |
| SCHEMBL1846678 | 0.55 | — | — | |
| SCHEMBL23296276 | 0.50 | — | — | |
| SCHEMBL5421246 | 0.50 | — | — | |
| SCHEMBL11265892 | 0.50 | — | — | |
| SCHEMBL13447783 | 0.50 | — | — | |
| SCHEMBL7737619 | 0.50 | — | — | |
| SCHEMBL5869492 | 0.50 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1054859-A4 | PROCESSES AND INTERMEDIATES USEFUL TO MAKE ANTIFOLATES | LILLY CO ELI (US) | 2003-03-05 | — | — | EP | claimed |
| EP-1054859-A1 | PROCESSES AND INTERMEDIATES USEFUL TO MAKE ANTIFOLATES | ELI LILLY AND COMPANY (US) | 2000-11-29 | — | — | EP | claimed |
| WO-1999041230-A1 | PROCESSES AND INTERMEDIATES USEFUL TO MAKE ANTIFOLATES | ELI LILLY AND COMPANY (US) | 1999-08-19 | — | — | WO | claimed |
| US-20150336926-A1 | FLUORINATION OF ARYL COMPOUNDS | NIH | 2015-11-26 | — | — | US | disclosed |
| WO-2014107379-A1 | FLUORINATION OF ARYL COMPOUNDS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-07-10 | — | — | WO | disclosed |
| EP-1558607-B1 | COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES | VERTEX PHARMA (US) | 2010-05-05 | — | — | EP | disclosed |
| US-20080247682-A1 | STAND-UP FLEXIBLE POUCH AND METHOD OF FORMING | POUCH PAC INNOVATIONS, LLC (US) | 2008-10-09 | — | — | US | disclosed |