⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL182737 | 0.78 | KDM4E (0.44) | — | |
| SCHEMBL7355446 | 0.77 | HTT (0.46) | — | |
| SCHEMBL182820 | 0.76 | ALDH1A1 (0.49) | — | |
| SCHEMBL182862 | 0.75 | PLK1 (0.49) | — | |
| SCHEMBL7989399 | 0.74 | PRSS1 (0.37) | — | |
| SCHEMBL182690 | 0.74 | MKNK1 (0.40) | — | |
| SCHEMBL1335323 | 0.72 | CTSD (0.53) | — | |
| SCHEMBL182598 | 0.71 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL8674 | 0.71 | CA2 (0.46) | — | |
| SCHEMBL5885171 | 0.70 | ALDH1A1 (0.44) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8058295-B2 | Cystic fibrosis transmembrane conductance regulator protein inhibitors and uses thereof | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2011-11-15 | — | — | US | disclosed |
| US-20100130571-A1 | CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2010-05-27 | — | — | US | disclosed |
| US-7638543-B2 | Cystic fibrosis transmembrane conductance regulator protein inhibitors and uses thereof | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2009-12-29 | — | — | US | disclosed |
| US-20080064666-A1 | CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2008-03-13 | — | — | US | disclosed |
| US-7235573-B2 | Methods of treating secretory diarrhea using cystic fibrosis transmembrane conductance regulator protein inhibitors | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2007-06-26 | — | — | US | disclosed |
| EP-1549321-A4 | CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREOF | UNIV CALIFORNIA (US) | 2007-05-23 | — | — | EP | disclosed |
| EP-1549321-A2 | CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2005-07-06 | — | — | EP | disclosed |
| US-20040235800-A1 | Cystic fibrosis transmembrane conductance regulator protein inhibitors and uses thereof | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2004-11-25 | — | — | US | disclosed |
| WO-2004028480-A2 | CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2004-04-08 | — | — | WO | disclosed |
| US-20040063695-A1 | Cystic fibrosis transmembrane conductance regulator protein inhibitors and uses thereof | REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE | 2004-04-01 | — | — | US | disclosed |