⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6158299 | 0.80 | SLC22A6 (0.31) | — | |
| SCHEMBL28637575 | 0.75 | SLC22A6 (0.33) | — | |
| SCHEMBL28792730 | 0.70 | TRPV1 (0.42) | — | |
| SCHEMBL28694427 | 0.68 | SLC22A6 (0.46) | — | |
| Deanol SCHEMBL4708447 | 0.68 | CYP1A2 (0.32) | — | |
| SCHEMBL1059492 | 0.67 | TP53 (0.33) | — | |
| SCHEMBL1792906 | 0.66 | SLC22A6 (0.36) | — | |
| SCHEMBL6018860 | 0.66 | SLC22A6 (0.36) | — | |
| SCHEMBL23781782 | 0.65 | TP53 (0.32) | — | |
| SCHEMBL4082311 | 0.65 | PTGS1 (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4107192-A1 | PURIFICATION OF SACCHARIDES | Pfizer Inc. (US) | 2022-12-28 | — | — | EP | disclosed |
| EP-2978843-A1 | METHOD OF DNA/RNA EXTRACTION USING SILYLATED QUATERNARY AMMONIUM COMPOUNDS (SIQAC) | Arcis Biotechnology Holdings Limited (GB) | 2016-02-03 | — | — | EP | disclosed |
| WO-2014155078-A1 | METHOD OF DNA/RNA EXTRACTION USING SILYLATED QUATERNARY AMMONIUM COMPOUNDS (SIQAC) | ARCIS BIOTECHNOLOGY HOLDINGS LIMITED (GB) | 2014-10-02 | — | — | WO | disclosed |
| EP-2084294-A2 | STERILIZATION INDICATOR | American Sterilizer Company (US) | 2009-08-05 | — | — | EP | disclosed |
| WO-2008082728-A2 | STERILIZATION INDICATOR | AMERICAN STERILIZER COMPANY (US) | 2008-07-10 | — | — | WO | disclosed |