⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4643826 | 0.90 | HTT (0.33) | — | |
| SCHEMBL4643421 | 0.90 | — | — | |
| SCHEMBL4641647 | 0.90 | NR3C1 (0.30) | — | |
| SCHEMBL4641253 | 0.87 | PTGS2 (0.33) | — | |
| SCHEMBL4641256 | 0.86 | — | — | |
| SCHEMBL4645142 | 0.86 | RAPGEF4 (0.31) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL4647342 | 0.85 | GPR3 (0.36) | — | |
| SCHEMBL4647077 | 0.82 | — | — | |
| SCHEMBL4641388 | 0.81 | — | — | |
| SCHEMBL3191490 | 0.81 | HSD11B1 (0.34) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1443042-B1 | HYBRID ONIUM SALT | WAKO PURE CHEM IND LTD (JP) | 2008-08-13 | — | — | EP | disclosed |
| EP-1443042-A1 | HYBRID ONIUM SALT | Wako Pure Chemical Industries, Ltd. (JP) | 2004-08-04 | — | — | EP | disclosed |