⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16933390 | 0.92 | — | — | |
| SCHEMBL16933389 | 0.92 | — | — | |
| SCHEMBL13182107 | 0.92 | — | — | |
| SCHEMBL2607534 | 0.91 | LMNA (0.64) | — | |
| SCHEMBL2607806 | 0.91 | — | — | |
| SCHEMBL13182121 | 0.90 | — | — | |
| SCHEMBL16541178 | 0.90 | — | — | |
| SCHEMBL2607681 | 0.90 | — | — | |
| SCHEMBL16939822 | 0.88 | — | — | |
| SCHEMBL15597393 | 0.88 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150099781-A1 | Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2015-04-09 | — | — | US | disclosed |
| US-8969342-B2 | Compounds and methods for treating mammalian gastrointestinal microbial infections | BRANDEIS UNIVERSITY (US) | 2015-03-03 | — | — | US | disclosed |
| US-20120101096-A1 | Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections | University of Georgia Foundation, Inc. (US) | 2012-04-26 | — | — | US | disclosed |