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 SCHEMBL1851114 | 1.00 | — | — | |
| Bromide SCHEMBL28193270 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL17260895 | 0.82 | CYP3A4 (0.33) | — | |
| Hydrochloric Acid SCHEMBL1586512 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL6914388 | 0.82 | CYP3A4 (0.33) | — | |
| Hydrochloric Acid SCHEMBL15668453 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL14738839 | 0.82 | CYP3A4 (0.33) | — | |
| Bromide SCHEMBL19000 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL10714977 | 0.82 | CYP3A4 (0.33) | — | |
| Hydrochloric Acid SCHEMBL4289662 | 0.82 | — | — |
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-20020120078-A1 | Supported catalyst for ethylene (co)polymerization, preparation and use of the same | CHINA PETRO-CHEMICAL CORPORATION (CN) | 2002-08-29 | — | — | US | claimed |
| US-3991260-A | Process for preparing polyolefins | NIPPON OIL CORPORATION LTD. (JA) | 1976-11-09 | — | — | US | disclosed |