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 | |
|---|---|---|---|---|
| SCHEMBL8671690 | 0.75 | — | — | |
| SCHEMBL19292144 | 0.73 | — | — | |
| SCHEMBL9460057 | 0.71 | — | — | |
| Bromide SCHEMBL7785505 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL8570536 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL8570534 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL8570530 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL9460065 | 0.71 | — | — | |
| SCHEMBL11762773 | 0.71 | — | — | |
| SCHEMBL663976 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0639579-B1 | Preparation of metallocenes | ALBEMARLE CORP (US) | 2001-10-31 | — | — | EP | disclosed |
| US-5455333-A | Preparation of metallocenes | ALBEMARLE CORPORATION (US) | 1995-10-03 | — | — | US | disclosed |
| EP-0639579-A2 | Preparation of metallocenes | ALBEMARLE CORPORATION (US) | 1995-02-22 | — | — | EP | disclosed |