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 SCHEMBL7201741 | 0.83 | TDP1 (0.39) | — | |
| Bromide SCHEMBL11605963 | 0.80 | — | — | |
| SCHEMBL685964 | 0.79 | TDP1 (0.41) | — | |
| SCHEMBL6728105 | 0.78 | CES2 (0.36) | — | |
| SCHEMBL11609954 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL11606510 | 0.74 | — | — | |
| SCHEMBL6735177 | 0.73 | KMT2A (0.45) | — | |
| Bromide SCHEMBL2112043 | 0.72 | KMT2A (0.32) | — | |
| SCHEMBL2185909 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL6730772 | 0.71 | KMT2A (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1154321-B1 | Chemical amplification type positive resist compositions and sulfonium salts | SUMITOMO CHEMICAL CO (JP) | 2010-08-25 | — | — | EP | disclosed |
| US-6406830-B2 | BIS(SULFONIUM METHYL)KETONE BISPERFLUOROALKANESULFONATE ACID GENERATOR WITH TRIPHENYLSULFONIUM OR DIPHENYLIODONIUM SALTS, AND A RESIN HAVING A UNIT UNSTABLE TO AN ACID, SUCH AS 2-ALKYL-2-ADAMANTYL (METH)ACRYLATE; RESOLUTION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-06-18 | — | — | US | disclosed |
| US-20020006582-A1 | Chemical amplification type positive resist compositions and sulfonium salts | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-01-17 | — | — | US | disclosed |
| EP-1154321-A1 | Chemical amplification type positive resist compositions and sulfonium salts | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2001-11-14 | — | — | EP | disclosed |