⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10734090 | 0.83 | TSHR (0.32) | — | |
| SCHEMBL17607634 | 0.83 | TSHR (0.32) | — | |
| SCHEMBL4654213 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL5984875 | 0.76 | — | — | |
| SCHEMBL27978045 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL17607456 | 0.75 | TSHR (0.30) | — | |
| SCHEMBL17607516 | 0.74 | LMNA (0.36) | — | |
| SCHEMBL22542296 | 0.74 | — | — | |
| SCHEMBL27059850 | 0.74 | TSHR (0.41) | — | |
| SCHEMBL4654396 | 0.74 | TSHR (0.37) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3194371-B1 | ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS | AGENCY SCIENCE TECH & RES (SG) | 2020-09-02 | — | — | EP | disclosed |
| CN-107108518-B | Antibacterial imidazolium compounds | 新加坡科技研究局 | 2020-08-11 | — | — | CN | disclosed |
| US-10570097-B2 | Antimicrobial imidazolium compounds | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2020-02-25 | — | — | US | disclosed |
| US-20190016684-A1 | ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2019-01-17 | — | — | US | disclosed |
| US-10160728-B2 | Antimicrobial imidazolium compounds | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2018-12-25 | — | — | US | disclosed |
| US-20170291877-A1 | ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2017-10-12 | — | — | US | disclosed |
| CN-107108518-A | Antibacterial imidazolium compounds | 新加坡科技研究局 | 2017-08-29 | — | — | CN | disclosed |
| EP-3194371-A1 | ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS | Agency for Science, Technology and Research (SG) | 2017-07-26 | — | — | EP | disclosed |
| WO-2016043660-A1 | ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2016-03-24 | — | — | WO | disclosed |