⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6023611 | 0.89 | — | — | |
| SCHEMBL4644260 | 0.86 | — | — | |
| SCHEMBL4643675 | 0.86 | — | — | |
| SCHEMBL4641608 | 0.85 | — | — | |
| SCHEMBL4643268 | 0.85 | — | — | |
| Perchlorate SCHEMBL4641833 | 0.82 | CA1 (0.31) | — | |
| SCHEMBL4641392 | 0.81 | HDAC11 (0.31) | — | |
| SCHEMBL4641416 | 0.79 | CALM1 (0.31) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL4643180 | 0.77 | KCNH2 (0.38) | — | |
| SCHEMBL3139549 | 0.74 | CYP1A2 (0.30) | — |
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 3 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 |
| US-7101918-B2 | Hybrid type onium salt | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2006-09-05 | — | — | US | disclosed |
| EP-1443042-A1 | HYBRID ONIUM SALT | Wako Pure Chemical Industries, Ltd. (JP) | 2004-08-04 | — | — | EP | disclosed |