⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7615517 | 0.79 | CA2 (0.31) | — | |
| SCHEMBL7863650 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL18008145 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL18008564 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL18007870 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL18008316 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL18008344 | 0.78 | ALDH1A1 (0.33) | — | |
| Potassium Ion SCHEMBL18008353 | 0.76 | CA1 (0.31) | — | |
| Lithium Ion SCHEMBL18008513 | 0.76 | CA1 (0.31) | — | |
| Lithium Ion SCHEMBL18007988 | 0.76 | CA1 (0.31) | — |
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-1206318-B1 | PERFLUOROSULFONYLMETHIDE COMPOUNDS; USE THEREOF FOR CARBON-CARBON BOND FORMATION | INST OF APPLIED CATALYSIS (GB) | 2005-02-09 | — | — | EP | disclosed |
| US-6664380-B1 | Catalyst for process involving carbon-carbon bond formation | THE INSTITUTE OF APPLIED CATALYSIS (GB) | 2003-12-16 | — | — | US | disclosed |