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 SCHEMBL28117972 | 0.95 | — | — | |
| Propane SCHEMBL29260697 | 0.87 | — | — | |
| Bromide SCHEMBL27988324 | 0.87 | — | — | |
| Bromide SCHEMBL28886830 | 0.86 | EPHX1 (0.34) | — | |
| SCHEMBL10067 | 0.84 | — | — | |
| SCHEMBL18035 | 0.84 | — | — | |
| SCHEMBL847526 | 0.84 | — | — | |
| SCHEMBL2473867 | 0.84 | NOS2 (0.35) | — | |
| SCHEMBL31673148 | 0.84 | — | — | |
| Alcohol SCHEMBL20987119 | 0.83 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111072451-B | Hydrolysis process of Grignard reaction metal organic product | 上虞新和成生物化工有限公司 | 2021-04-02 | — | — | CN | disclosed |
| CN-111072451-A | Green hydrolysis process of Grignard reaction metal organic product | 上虞新和成生物化工有限公司 | 2020-04-28 | — | — | CN | disclosed |
| CN-106279230-A | A kind of technique synthesizing diethyl alkoxyl borine | 沧州普瑞东方科技有限公司 | 2017-01-04 | — | — | CN | disclosed |