⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28472358 | 0.74 | CYP1A2 (0.31) | — | |
| SCHEMBL155621 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL8356359 | 0.70 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL28480550 | 0.70 | — | — | |
| SCHEMBL27618765 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL5013321 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL28725331 | 0.69 | — | — | |
| SCHEMBL33347 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL3140302 | 0.69 | RNPEP (0.34) | — | |
| SCHEMBL9055185 | 0.68 | GRN (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 |
|---|---|---|---|---|---|---|---|
| US-7750166-B2 | Ionic liquids containing a sulfonate anion | UNIVERSITY OF SOUTH ALABAMA (US) | 2010-07-06 | — | — | US | disclosed |
| US-20090200513-A1 | Ionic Liquids Containing a Sulfonate Anion | UNIVERSITY OF SOUTH ALABAMA (US) | 2009-08-13 | — | — | US | disclosed |
| EP-1554238-A2 | IONIC LIQUIDS CONTAINING A SULFONATE ANION | SACHEM, INC. (US) | 2005-07-20 | — | — | EP | disclosed |
| US-20050131118-A1 | Ionic liquids containing a sulfonate anion | PNC BANK, NATIONAL ASSOCIATION | 2005-06-16 | — | — | US | disclosed |
| WO-2004016570-A2 | IONIC LIQUIDS CONTAINING A SULFONATE ANION | SACHEM, INC. (US) | 2004-02-26 | — | — | WO | disclosed |