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 | |
|---|---|---|---|---|
| Bromide SCHEMBL2178682 | 0.72 | HTT (0.37) | — | |
| Bromide SCHEMBL2177491 | 0.71 | — | — | |
| Bromide SCHEMBL2179553 | 0.70 | LMNA (0.38) | — | |
| Bromide SCHEMBL2178786 | 0.69 | TP53 (0.36) | — | |
| Bromide SCHEMBL2745044 | 0.67 | LMNA (0.33) | — | |
| SCHEMBL2308476 | 0.61 | TSHR (0.42) | — | |
| SCHEMBL25596388 | 0.59 | ADRA2A (0.37) | — | |
| SCHEMBL25795843 | 0.59 | TSHR (0.40) | — | |
| SCHEMBL25771761 | 0.59 | TSHR (0.40) | — | |
| Butane SCHEMBL8909318 | 0.57 | TSHR (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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10071982-B2 | Method of treating neuropathic pain | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2018-09-11 | — | — | US | claimed |
| US-20160340335-A9 | METHOD OF TREATING NEUROPATHIC PAIN | UNIVERSITY OF UTAH (US) | 2016-11-24 | — | — | US | claimed |
| US-20160279119-A9 | BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2016-09-29 | — | — | US | claimed |
| US-20140011836-A1 | METHOD OF TREATING NEUROPATHIC PAIN | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2014-01-09 | — | — | US | claimed |
| US-8178678-B2 | Bis-quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2012-05-15 | — | — | US | claimed |
| US-20110166177-A1 | BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2011-07-07 | — | — | US | claimed |
| US-20100069432-A1 | Bis-Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2010-03-18 | — | — | US | claimed |
| US-10071982-B2 | Method of treating neuropathic pain | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2018-09-11 | — | — | US | disclosed |
| US-20160340335-A9 | METHOD OF TREATING NEUROPATHIC PAIN | UNIVERSITY OF UTAH (US) | 2016-11-24 | — | — | US | disclosed |
| US-9499518-B2 | Bis-quaternary ammonium salts as pain modulating agents | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2016-11-22 | — | — | US | disclosed |
| US-20160279119-A9 | BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2016-09-29 | — | — | US | disclosed |
| US-20140011836-A1 | METHOD OF TREATING NEUROPATHIC PAIN | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2014-01-09 | — | — | US | disclosed |
| US-8178678-B2 | Bis-quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2012-05-15 | — | — | US | disclosed |
| US-20110166177-A1 | BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2011-07-07 | — | — | US | disclosed |
| US-20100069432-A1 | Bis-Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2010-03-18 | — | — | US | disclosed |