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 | |
|---|---|---|---|---|
| SCHEMBL34774 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL61431 | 0.88 | — | — | |
| Fluoride SCHEMBL1896494 | 0.88 | — | — | |
| Bromide SCHEMBL556903 | 0.88 | — | — | |
| Bromide SCHEMBL27978789 | 0.85 | — | — | |
| Bicarbonate SCHEMBL28061950 | 0.79 | CA1 (0.33) | — | |
| SCHEMBL27809614 | 0.79 | — | — | |
| SCHEMBL28296549 | 0.79 | — | — | |
| SCHEMBL1116198 | 0.77 | — | — | |
| Acetic Acid SCHEMBL26656964 | 0.76 | FFAR3 (0.44) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6815562-B2 | REACTION OF NITROHALOGENS WITH ANILINES, A BASE AND A CATALYST, HYDROGENATION, | BAYER AKTIENGESELLSCHAFT (DE) | 2004-11-09 | — | — | US | claimed |
| US-20040143138-A1 | Process for the preparation of nitrodiphenylamines | LANXESS DEUTSCHLAND GMBH (DE) | 2004-07-22 | — | — | US | claimed |
| US-6815562-B2 | REACTION OF NITROHALOGENS WITH ANILINES, A BASE AND A CATALYST, HYDROGENATION, | BAYER AKTIENGESELLSCHAFT (DE) | 2004-11-09 | — | — | US | disclosed |
| US-20040143138-A1 | Process for the preparation of nitrodiphenylamines | LANXESS DEUTSCHLAND GMBH (DE) | 2004-07-22 | — | — | US | disclosed |