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 SCHEMBL28944788 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL8510963 | 0.65 | — | — | |
| Iodide SCHEMBL6886351 | 0.61 | — | — | |
| Bromide SCHEMBL367567 | 0.60 | TSHR (0.30) | — | |
| Bromide SCHEMBL3941662 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL8014952 | 0.58 | — | — | |
| Bromide SCHEMBL3916909 | 0.58 | FDPS (0.31) | — | |
| SCHEMBL9455088 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL366912 | 0.56 | — | — | |
| Bromide SCHEMBL3941430 | 0.56 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11912999-B2 | Aptamer conjugates with N-heterocyclic carbene metal complexes for targeted drug delivery | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2024-02-27 | — | — | US | disclosed |
| US-20200339993-A1 | Aptamer Conjugates with N-Heterocyclic Carbene Metal Complexes for Targeted Drug Delivery | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION INC. | 2020-10-29 | — | — | US | disclosed |
| US-10731164-B2 | Aptamer conjugates with N-heterocyclic carbene metal complexes for targeted drug delivery | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2020-08-04 | — | — | US | disclosed |
| US-20170107516-A1 | Aptamer Conjugates With N-Heterocyclic Carbene Metal Complexes for Targeted Drug Delivery | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. | 2017-04-20 | — | — | US | disclosed |
| WO-2016004324-A1 | APTAMER CONJUGATES WITH N-HETEROCYCLIC CARBENE METAL COMPLEXES FOR TARGETED DRUG DELIVERY | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2016-01-07 | — | — | WO | disclosed |