⚠ 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 | |
|---|---|---|---|---|
| Perchlorate SCHEMBL4644538 | 0.97 | — | — | |
| Perchlorate SCHEMBL4646338 | 0.89 | — | — | |
| Perchlorate SCHEMBL4647669 | 0.87 | NPC1 (0.32) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL4643962 | 0.83 | GPR3 (0.31) | — | |
| Perchlorate SCHEMBL4646331 | 0.83 | — | — | |
| Perchlorate SCHEMBL4643918 | 0.83 | — | — | |
| Perchlorate SCHEMBL4643794 | 0.83 | — | — | |
| Perchlorate SCHEMBL4643320 | 0.82 | ALDH1A1 (0.33) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL4641619 | 0.81 | KCNH2 (0.30) | — | |
| SCHEMBL4644454 | 0.81 | CA12 (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 |
| US-20050020710-A1 | Hybrid onium salt | WAKO PURE CHEMICALS INDUSTRIES, LTD. (JP) | 2005-01-27 | — | — | US | disclosed |