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 SCHEMBL8629282 | 0.82 | — | — | |
| Bromide SCHEMBL7076360 | 0.82 | — | — | |
| Bromide SCHEMBL8771974 | 0.82 | — | — | |
| Bromide SCHEMBL185948 | 0.82 | — | — | |
| Bromide SCHEMBL21364 | 0.82 | — | — | |
| Bromide SCHEMBL16150356 | 0.67 | — | — | |
| Bromide SCHEMBL7934371 | 0.67 | — | — | |
| Bromide SCHEMBL16150358 | 0.67 | — | — | |
| Bromide SCHEMBL9839408 | 0.67 | — | — | |
| Water SCHEMBL7267217 | 0.67 | — | — |
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-10472379-B2 | Ruthenium-sphingomyelin complexes and methods for their use in the treatment of tumors | GARNETT MCKEEN LAB, INC. | 2019-11-12 | — | — | US | disclosed |
| US-20180051045-A1 | RUTHENIUM-SPHINGOMYELIN COMPLEXES AND METHODS FOR THEIR USE IN THE TREATMENT OF TUMORS | GARNETT MCKEEN LAB, INC. | 2018-02-22 | — | — | US | disclosed |
| WO-2017200792-A1 | RUTHENIUM-SPHINGOMYELIN COMPLEXES AND METHODS FOR THEIR USE IN THE TREATMENT OF TUMORS | GARNETT MCKEEN LAB, INC. (US) | 2017-11-23 | — | — | WO | disclosed |
| US-9605012-B2 | Palladium-ruthenium-zinc-organo complexes and methods for their use in the treatment of inflammatory diseases | GARNETT MCKEEN LABORATORY, INC. (US) | 2017-03-28 | — | — | US | disclosed |
| WO-2014164902-A9 | PALLADIUM-RUTHENIUM-ZINC-ORGANO COMPLEXES AND METHODS FOR THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES | GARNETT MCKEEN LABORATORY, INC. (US) | 2014-12-24 | — | — | WO | disclosed |
| WO-2014164902-A1 | PALLADIUM-RUTHENIUM-ZINC-ORGANO COMPLEXES AND METHODS FOR THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES | GARNETT MCKEEN LABORATORY, INC. (US) | 2014-10-09 | — | — | WO | disclosed |