⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2761632 | 0.98 | — | — | |
| SCHEMBL1012151 | 0.83 | HRH1 (0.42) | — | |
| SCHEMBL5314573 | 0.68 | — | — | |
| SCHEMBL752148 | 0.67 | — | — | |
| SCHEMBL21945955 | 0.67 | POLB (0.30) | — | |
| SCHEMBL5808267 | 0.67 | PTGS1 (0.31) | — | |
| SCHEMBL5313984 | 0.64 | CSNK2A1 (0.30) | — | |
| SCHEMBL6017143 | 0.63 | — | — | |
| SCHEMBL4639726 | 0.63 | — | — | |
| SCHEMBL2084086 | 0.63 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006117760-A1 | ADRENERGIC RECEPTOR ANTAGONISTS | RANBAXY LABORATORIES LIMITED (IN) | 2006-11-09 | — | — | WO | disclosed |