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 SCHEMBL9863596 | 0.88 | ADRA1D (0.56) | — | |
| SCHEMBL9863434 | 0.85 | ACHE (0.43) | — | |
| Hydrochloric Acid SCHEMBL9863638 | 0.84 | DNM1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL9863876 | 0.79 | LPAR5 (0.46) | — | |
| SCHEMBL10832898 | 0.79 | SMN1; SMN2 (0.61) | — | |
| Hydrochloric Acid SCHEMBL9863873 | 0.78 | ADRA1D (0.43) | — | |
| Iodide SCHEMBL9863487 | 0.77 | ADRA1D (0.45) | — | |
| SCHEMBL10832102 | 0.77 | PRKCA (0.48) | — | |
| Iodide SCHEMBL9863538 | 0.76 | PLA2G2C (0.56) | — | |
| SCHEMBL5936392 | 0.76 | PRKD3 (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5025005-A | Preventive or therapeutic agents for circulatory diseases, allergic disorders; antineoplastic agent; inhibitor for platelet activating factor | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1991-06-18 | — | — | US | disclosed |
| US-4737518-A | ANTIALLERGENS, ANTINEOPLASTICS, ANTICOAGULANTS, CIRCULATORY DISEASES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1988-04-12 | — | — | US | disclosed |
| EP-0157609-A2 | Lipid derivatives their production and use | Takeda Chemical Industries, Ltd. (JP) | 1985-10-09 | — | — | EP | disclosed |