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 | |
|---|---|---|---|---|
| SCHEMBL8099505 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL4864389 | 0.90 | — | — | |
| SCHEMBL8524161 | 0.63 | — | — | |
| Bromide SCHEMBL1486800 | 0.60 | — | — | |
| Bromide SCHEMBL5193860 | 0.60 | — | — | |
| Bromide SCHEMBL2059865 | 0.60 | — | — | |
| Bromide SCHEMBL17200271 | 0.60 | — | — | |
| Bromide SCHEMBL22750622 | 0.60 | — | — | |
| Bromide SCHEMBL941950 | 0.60 | — | — | |
| Bromide SCHEMBL1013994 | 0.60 | — | — |
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-7396889-B2 | Method for preparing a diene elastomer | MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) | 2008-07-08 | — | — | US | claimed |
| US-20070255029-A1 | Method for preparing a diene elastomer | MICHELIN RECHERCHE ET TECHNIQUE S.A. | 2007-11-01 | — | — | US | claimed |