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 SCHEMBL1069164 | 0.97 | ALDH1A1 (0.33) | — | |
| Bromide SCHEMBL7722920 | 0.97 | — | — | |
| SCHEMBL5732724 | 0.96 | ALDH1A1 (0.30) | — | |
| SCHEMBL8468728 | 0.96 | ALDH1A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL1077104 | 0.95 | ALDH1A1 (0.33) | — | |
| Acetonitrile SCHEMBL7724784 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL6150930 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL7183383 | 0.80 | — | — | |
| SCHEMBL8471987 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL7722946 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0946609-B1 | POLYMERIZATION OF ETHYLENE WITH SPECIFIC IRON OR COBALT COMPLEXES, NOVEL PYRIDINEBIS(IMINES) AND NOVEL COMPLEXES OF PYRIDINEBIS(IMINES) WITH IRON AND COBALT | DU PONT (US) | 2002-02-27 | — | — | EP | disclosed |
| EP-1127897-A2 | Catalyst composition comprising specific iron or cobalt complexes and process for the oligomerization or polymerization of ethylene therewith | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2001-08-29 | — | — | EP | disclosed |