⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL823187 | 0.80 | — | — | |
| SCHEMBL3622263 | 0.79 | HCAR2 (0.53) | — | |
| SCHEMBL1877447 | 0.77 | — | — | |
| SCHEMBL3987201 | 0.77 | — | — | |
| SCHEMBL1877444 | 0.77 | — | — | |
| SCHEMBL7664566 | 0.74 | — | — | |
| SCHEMBL7656039 | 0.74 | — | — | |
| SCHEMBL7656034 | 0.74 | — | — | |
| SCHEMBL7664562 | 0.74 | — | — | |
| SCHEMBL7168184 | 0.74 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2547209-A2 | FUNGICIDAL COMPOSITIONS COMPRISING A PHOSPHATE SOLUBILIZING MICROORGANISM AND A FUNGICIDALLY ACTIVE COMPOUND | BASF SE (DE) | 2013-01-23 | — | — | EP | disclosed |
| US-20120135089-A1 | E3 LIGASE INHIBITORS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2012-05-31 | — | — | US | disclosed |
| WO-2011114280-A2 | FUNGICIDAL COMPOSITIONS COMPRISING COMPRISING A PHOSPHATE SOLUBILIZING MICROORGANISM AND A FUNGICIDALLY ACTIVE COMPOUND | BASF SE (DE) | 2011-09-22 | — | — | WO | disclosed |
| WO-2010107485-A1 | E3 LIGASE INHIBITORS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2010-09-23 | — | — | WO | disclosed |