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 | |
|---|---|---|---|---|
| Fluoride Ion SCHEMBL5603882 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL5601167 | 0.99 | — | — | |
| Bromide SCHEMBL5601948 | 0.91 | — | — | |
| Fluoride Ion SCHEMBL5603118 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL5602871 | 0.90 | — | — | |
| Bromide SCHEMBL5600269 | 0.87 | CA1 (0.33) | — | |
| Bromide SCHEMBL5603248 | 0.87 | CA1 (0.32) | — | |
| Fluoride Ion SCHEMBL5602351 | 0.86 | MEN1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL5600976 | 0.86 | CA1 (0.32) | — | |
| Fluoride Ion SCHEMBL5603625 | 0.86 | CA1 (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7276567-B2 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-10-02 | — | — | US | disclosed |
| EP-1735354-A1 | HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | Exxonmobil Chemical Company Inc. (US) | 2006-12-27 | — | — | EP | disclosed |
| US-20050261449-A1 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENT INC. | 2005-11-24 | — | — | US | disclosed |
| WO-2005105864-A1 | HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2005-11-10 | — | — | WO | disclosed |