Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL15328526 | 0.86 | — | — | |
| Bromide SCHEMBL4869920 | 0.60 | — | — | |
| Bromide SCHEMBL1472730 | 0.57 | — | — | |
| Bromide SCHEMBL4450506 | 0.57 | — | — | |
| Bromide SCHEMBL4440885 | 0.57 | — | — | |
| SCHEMBL9778283 | 0.57 | — | — | |
| Bromide SCHEMBL4439082 | 0.57 | — | — | |
| Bromide SCHEMBL4440891 | 0.57 | — | — | |
| Bromide SCHEMBL20577171 | 0.57 | — | — | |
| Bromide SCHEMBL17629253 | 0.57 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9732102-B2 | System for controlling the reactivity of boronic acids | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2017-08-15 | — | — | US | disclosed |
| US-20170002026-A1 | System for Controlling the Reactivity of Boronic Acids | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS | 2017-01-05 | — | — | US | disclosed |
| 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 |
| US-8318983-B2 | System for controlling the reactivity of boronic acids | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2012-11-27 | — | — | US | disclosed |
| US-20120059184-A1 | System for Controlling the Reactivity of Boronic Acids | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2012-03-08 | — | — | US | disclosed |
| US-8013203-B2 | System for controlling the reactivity of boronic acids | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2011-09-06 | — | — | US | disclosed |
| EP-2181103-A1 | SYSTEM FOR CONTROLLING THE REACTIVITY OF BORONIC ACIDS | The Board Of Trustees Of The University Of Illinois (US) | 2010-05-05 | — | — | EP | disclosed |
| US-20090030238-A1 | SYSTEM FOR CONTROLLING THE REACTIVITY OF BORONIC ACIDS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS | 2009-01-29 | — | — | US | disclosed |
| WO-2009014550-A1 | SYSTEM FOR CONTROLLING THE REACTIVITY OF BORONIC ACIDS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2009-01-29 | — | — | WO | disclosed |