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 | |
|---|---|---|---|---|
| SCHEMBL9297600 | 0.70 | FDPS (0.30) | — | |
| Bromide SCHEMBL4365588 | 0.67 | — | — | |
| SCHEMBL9299261 | 0.63 | GGPS1 (0.36) | — | |
| SCHEMBL27977760 | 0.61 | — | — | |
| SCHEMBL11671889 | 0.61 | FDPS (0.36) | — | |
| SCHEMBL1711205 | 0.61 | TSHR (0.33) | — | |
| SCHEMBL2191404 | 0.61 | TSHR (0.33) | — | |
| SCHEMBL14778615 | 0.61 | TSHR (0.33) | — | |
| SCHEMBL6721146 | 0.59 | TSHR (0.32) | — | |
| SCHEMBL9499274 | 0.59 | TSHR (0.32) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090162290-A1 | METHOD FOR THE SYNTHESIS OF PENTA-PENDANT ENANTIOMER-PURE CHELATORS AND PROCESS FOR THERAPEUTICALLY ACTIVE BIOCONJUGATES PREPARATION BY A COVALENT BINDING THEREOF | THERAPHARM GMBH | 2009-06-25 | — | — | US | disclosed |
| US-20080312430-A1 | Method of Preparing or Synthesizing Polyazamacrocycle Derivatives | THERAPHARM GMBH (CH) | 2008-12-18 | — | — | US | disclosed |
| EP-1942949-A1 | METHOD FOR THE SYNTHESIS OF PENTAPENDANT ENANTIOMER-PURE CHELATORS AND PROCESS FOR THERAPEUTICALLY ACTIVE BIO-CONJUGATES PREPARATION BY A COVALENT BINDING OF THEREOF | Therapharm GmbH (CH) | 2008-07-16 | — | — | EP | disclosed |
| EP-1812453-A1 | METHOD OF PREPARING OR SYNTHESIZING POLYAZAMACROCYCLE DERIVATIVES | Therapharm GmbH (CH) | 2007-08-01 | — | — | EP | disclosed |
| WO-2007028639-A1 | METHOD FOR THE SYNTHESIS OF PENTAPENDANT ENANTIOMER-PURE CHELATORS AND PROCESS FOR THERAPEUTICALLY ACTIVE BIO-CONJUGATES PREPARATION BY A COVALENT BINDING OF THEREOF | THERAPHARM GMBH (CH) | 2007-03-15 | — | — | WO | disclosed |
| WO-2006045546-A1 | METHOD OF PREPARING OR SYNTHESIZING POLYAZAMACROCYCLE DERIVATIVES | THERAPHARM GMBH (CH) | 2006-05-04 | — | — | WO | disclosed |