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 SCHEMBL5083605 | 0.99 | — | — | |
| Bromide SCHEMBL5080610 | 0.98 | — | — | |
| Bromide SCHEMBL5079528 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL2388173 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL2387927 | 0.97 | — | — | |
| Bromide SCHEMBL5084202 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL2387093 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL2388840 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL2387905 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL5077683 | 0.85 | CNR1 (0.30) | — |
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-7393965-B2 | Crosslinked metallocene compound for olefin polymerization and method of polymerizing olefin with the same | MITSUI CHEMICALS, INC. (JP) | 2008-07-01 | — | — | US | disclosed |
| US-20060161013-A1 | Crosslinked metallocene compound for olefin polymerization and method of polymerizing olefin with the same | MITSUI CHEMICALS, INC. (JP) | 2006-07-20 | — | — | US | disclosed |