⚠ 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 | |
|---|---|---|---|---|
| N,N-Dimethylethanaminium SCHEMBL6577702 | 0.80 | — | — | |
| SCHEMBL29758951 | 0.79 | ALDH1A1 (0.35) | — | |
| N,N-Dimethylethanaminium SCHEMBL11418153 | 0.79 | — | — | |
| Trimethylammonium SCHEMBL1143577 | 0.76 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL1178616 | 0.76 | ALDH1A1 (0.33) | — | |
| N,N-Dimethylethanaminium SCHEMBL16338 | 0.76 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL2146567 | 0.76 | TSHR (0.36) | — | |
| N,N-Dimethylethanaminium SCHEMBL352062 | 0.76 | — | — | |
| SCHEMBL1729159 | 0.74 | DNM1 (0.55) | — | |
| N,N-Dimethylethanaminium SCHEMBL1996108 | 0.72 | — | — |
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-1940421-A1 | USE OF AMINE-BORANE COMPOUNDS AS ANTI-MICROBIAL AGENTS | Yissum Research Development Company, of The Hebrew University of Jerusalem (IL) | 2008-07-09 | — | — | EP | claimed |
| WO-2007032004-A1 | USE OF AMINE-BORANE COMPOUNDS AS ANTI-MICROBIAL AGENTS | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) | 2007-03-22 | — | — | WO | claimed |
| EP-1934234-B1 | NOVEL AMINE-BORANE COMPOUNDS AND USES THEREOF | YISSUM RES DEV CO (IL) | 2011-11-30 | — | — | EP | disclosed |
| US-20100284914-A1 | Novel Amine-Borane Compounds and Uses Thereof | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) | 2010-11-11 | — | — | US | disclosed |
| US-20090131366-A1 | Use of Amine-Borane Compounds as Anti-Microbial Agents | HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) | 2009-05-21 | — | — | US | disclosed |
| EP-1940421-A1 | USE OF AMINE-BORANE COMPOUNDS AS ANTI-MICROBIAL AGENTS | Yissum Research Development Company, of The Hebrew University of Jerusalem (IL) | 2008-07-09 | — | — | EP | disclosed |
| EP-1934234-A2 | NOVEL AMINE-BORANE COMPOUNDS AND USES THEREOF | Yissum Research Development Company, of The Hebrew University of Jerusalem (IL) | 2008-06-25 | — | — | EP | disclosed |
| WO-2007032004-A1 | USE OF AMINE-BORANE COMPOUNDS AS ANTI-MICROBIAL AGENTS | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) | 2007-03-22 | — | — | WO | disclosed |
| WO-2007032005-A2 | NOVEL AMINE-BORANE COMPOUNDS AND USES THEREOF | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) | 2007-03-22 | — | — | WO | disclosed |