⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1173183 | 0.84 | CYP1A2 (0.35) | — | |
| SCHEMBL1173292 | 0.80 | KMT2A (0.36) | — | |
| SCHEMBL1450788 | 0.65 | APP (0.52) | — | |
| SCHEMBL4107007 | 0.65 | APP (0.52) | — | |
| Tetramethylammonium Ion SCHEMBL1173326 | 0.62 | CYP1A1 (0.35) | — | |
| SCHEMBL2769206 | 0.61 | TSHR (0.41) | — | |
| SCHEMBL8757073 | 0.61 | ALDH1A1 (0.37) | — | |
| SCHEMBL2769209 | 0.59 | TSHR (0.39) | — | |
| Lithium Ion SCHEMBL9003425 | 0.59 | ALDH1A1 (0.35) | — | |
| Oxo(Phenyl)-Boranediol SCHEMBL15153997 | 0.56 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8436173-B2 | Boron compounds, their production processes, and functional electronic devices using same | KYOTO UNIVERSITY (JP) | 2013-05-07 | — | — | US | disclosed |
| US-20110046372-A1 | NOVEL BORON COMPOUNDS, THEIR PRODUCTION PROCESSES, AND FUNCTIONAL ELECTRONIC DEVICES USING SAME | Kyoto University and Nippon Shokubai Co., LTD. | 2011-02-24 | — | — | US | disclosed |
| EP-2233490-A1 | NOVEL BORON COMPOUND, METHOD FOR PRODUCING THE SAME, AND FUNCTIONAL ELECTRONIC DEVICE USING THE SAME | Kyoto University (JP) | 2010-09-29 | — | — | EP | disclosed |