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 SCHEMBL10454982 | 1.00 | — | — | |
| Bromide SCHEMBL27651378 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL27590473 | 0.82 | CYP3A4 (0.33) | — | |
| Hydrochloric Acid SCHEMBL1478496 | 0.82 | CYP3A4 (0.33) | — | |
| Hydrochloric Acid SCHEMBL29618708 | 0.82 | — | — | |
| Bromide SCHEMBL283933 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL29531215 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL37300 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL1586512 | 0.82 | — | — | |
| Bromide SCHEMBL3131407 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111372958-B | Zirconocene-titanocene catalyst system | 陶氏环球技术有限责任公司 | 2023-06-30 | — | — | CN | disclosed |