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 | |
|---|---|---|---|---|
| SCHEMBL2327446 | 0.99 | CHRNB4 (0.30) | — | |
| Hydrochloric Acid SCHEMBL584419 | 0.98 | CYP3A4 (0.32) | — | |
| SCHEMBL2331145 | 0.88 | CHRNA7 (0.39) | — | |
| Hydrochloric Acid SCHEMBL584372 | 0.87 | CHRNA7 (0.38) | — | |
| SCHEMBL2325507 | 0.86 | CYP1A2 (0.32) | — | |
| SCHEMBL2328568 | 0.86 | LSS (0.37) | — | |
| Hydrochloric Acid SCHEMBL584375 | 0.85 | CHRNB2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL585264 | 0.85 | LSS (0.36) | — | |
| Hydrochloric Acid SCHEMBL585887 | 0.84 | CYP2D6 (0.39) | — | |
| SCHEMBL21523874 | 0.84 | RARB (0.40) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080281091-A1 | Process for the Preparation of Porphyrin Derivatives as Antimicrobial Agents by Photodynamic Therapy (Pdt) | BRUNDISH DEREK | 2008-11-13 | — | — | US | claimed |
| EP-1963333-A1 | PROCESS FOR THE PREPARATION OF PORPHYRIN DERIVATIVES AS ANTIMICROBIAL AGENTS BY PHOTODYNAMIC THERAPY (PDT) | Destiny Pharma Limited (GB) | 2008-09-03 | — | — | EP | claimed |
| WO-2007074340-A1 | PROCESS FOR THE PREPARATION OF PORPHYRIN DERIVATIVES AS ANTIMICROBIAL AGENTS BY PHOTODYNAMIC THERAPY (PDT) | DESTINY PHARMA LIMITED (GB) | 2007-07-05 | — | — | WO | claimed |
| US-20080281091-A1 | Process for the Preparation of Porphyrin Derivatives as Antimicrobial Agents by Photodynamic Therapy (Pdt) | BRUNDISH DEREK | 2008-11-13 | — | — | US | disclosed |
| US-20080281091-A1 | Process for the Preparation of Porphyrin Derivatives as Antimicrobial Agents by Photodynamic Therapy (Pdt) | BRUNDISH DEREK | 2008-11-13 | — | — | US | disclosed |
| EP-1963333-A1 | PROCESS FOR THE PREPARATION OF PORPHYRIN DERIVATIVES AS ANTIMICROBIAL AGENTS BY PHOTODYNAMIC THERAPY (PDT) | Destiny Pharma Limited (GB) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007074340-A1 | PROCESS FOR THE PREPARATION OF PORPHYRIN DERIVATIVES AS ANTIMICROBIAL AGENTS BY PHOTODYNAMIC THERAPY (PDT) | DESTINY PHARMA LIMITED (GB) | 2007-07-05 | — | — | WO | disclosed |