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 SCHEMBL727702 | 0.86 | — | — | |
| Lithium Ion SCHEMBL11310421 | 0.80 | — | — | |
| SCHEMBL11318871 | 0.80 | — | — | |
| SCHEMBL29004188 | 0.68 | — | — | |
| Methoxymethane SCHEMBL7159665 | 0.62 | — | — | |
| Methoxymethane SCHEMBL28522915 | 0.57 | — | — | |
| Methoxymethane SCHEMBL28305884 | 0.57 | — | — | |
| Bromide SCHEMBL8855350 | 0.57 | — | — | |
| Bromide SCHEMBL11666023 | 0.57 | — | — | |
| Methoxymethane SCHEMBL12190176 | 0.57 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4478989-A | TITANIUM TRIHALIDE AND REACTION PRODUCT OF ORGANOALUMINUM COMPOUND AND AROMATIC HYDROXY COMPOUND | SHELL OIL COMPANY (US) | 1984-10-23 | — | — | US | disclosed |
| EP-0021478-A1 | A process for the stereospecific polymerization of an alpha-olefin and an alpha-olefin polymerization catalyst system | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1981-01-07 | — | — | EP | disclosed |