⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL313596 | 0.79 | — | — | |
| SCHEMBL19214405 | 0.76 | — | — | |
| SCHEMBL251442 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL1154 | 0.76 | — | — | |
| SCHEMBL8191043 | 0.73 | — | — | |
| SCHEMBL6057097 | 0.73 | — | — | |
| SCHEMBL17333162 | 0.73 | CA2 (0.32) | — | |
| SCHEMBL17333164 | 0.73 | — | — | |
| SCHEMBL15392061 | 0.71 | CA2 (0.35) | — | |
| SCHEMBL11864412 | 0.71 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020052522-A1 | Boronic compounds | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION | 2002-05-02 | — | — | US | claimed |
| US-6346639-B1 | Boronic compounds | THE COMMONWEALTH OF AUSTRALIA COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) | 2002-02-12 | — | — | US | claimed |
| EP-1121365-B1 | ORGANOBORON DERIVATIVES AND PROCESS FOR COUPLING ORGANIC COMPOUNDS | COMMW SCIENT IND RES ORG (AU) | 2005-06-08 | — | — | EP | disclosed |
| US-6713566-B1 | CATALYTIC HYDROBORATION OF OLEFINIC OR ACETYLENIC FUNCTIONA-LIZED MATERIAL UNDER MILD CONDITIONS | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 2004-03-30 | — | — | US | disclosed |
| US-6515160-B2 | Boronic compounds | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 2003-02-04 | — | — | US | disclosed |
| US-20020052522-A1 | Boronic compounds | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION | 2002-05-02 | — | — | US | disclosed |
| US-6346639-B1 | Boronic compounds | THE COMMONWEALTH OF AUSTRALIA COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) | 2002-02-12 | — | — | US | disclosed |