⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1194254 | 0.96 | — | — | |
| SCHEMBL1194257 | 0.96 | — | — | |
| SCHEMBL21893352 | 0.96 | — | — | |
| SCHEMBL16279189 | 0.92 | — | — | |
| SCHEMBL8660453 | 0.92 | — | — | |
| SCHEMBL16279191 | 0.92 | — | — | |
| SCHEMBL3603045 | 0.78 | — | — | |
| SCHEMBL733279 | 0.78 | ALDH1A1 (0.61) | — | |
| SCHEMBL6201794 | 0.78 | ALDH1A1 (0.61) | — | |
| SCHEMBL13083556 | 0.78 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9328127-B2 | System for controlling the reactivity of boronic acids | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2016-05-03 | — | — | US | disclosed |
| EP-2181103-B1 | SYSTEM FOR CONTROLLING THE REACTIVITY OF BORONIC ACIDS | UNIV ILLINOIS (US) | 2015-08-05 | — | — | EP | disclosed |
| US-20130296573-A1 | System for Controlling the Reactivity of Boronic Acids | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2013-11-07 | — | — | US | disclosed |
| EP-0679685-B2 | Resin composition for extruded forms | MITSUBISHI CHEM CORP (JP) | 2003-04-23 | — | — | EP | disclosed |
| EP-0679685-B1 | Resin composition for extruded forms | MITSUBISHI CHEM CORP (JP) | 1998-09-16 | — | — | EP | disclosed |
| EP-0679685-A1 | Resin composition for extruded forms | Mitsubishi Chemical Corporation (JP) | 1995-11-02 | — | — | EP | disclosed |