⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3868248 | 0.75 | GAA (0.35) | — | |
| SCHEMBL9698982 | 0.75 | GAA (0.50) | — | |
| SCHEMBL14722823 | 0.73 | POLB (0.53) | — | |
| SCHEMBL1728197 | 0.71 | — | — | |
| SCHEMBL2980873 | 0.71 | — | — | |
| SCHEMBL28127725 | 0.71 | — | — | |
| SCHEMBL16108444 | 0.71 | LMNA (0.42) | — | |
| SCHEMBL10913815 | 0.70 | LPO (0.43) | — | |
| SCHEMBL10866019 | 0.69 | LMNA (0.41) | — | |
| SCHEMBL754948 | 0.68 | TDP1 (0.43) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005023422-A2 | PRODUCTION AND USE OF IONIC LIQUIDS CONTAINING THIOCYANATO ANIONS | SOLVENT INNOVATION GMBH (DE) | 2005-03-17 | — | — | WO | disclosed |
| EP-1512460-A1 | Preparation and use of ionic liquids having thiocyanat as anion | Solvent Innovation GmbH (DE) | 2005-03-09 | — | — | EP | disclosed |
| CN-1133617-A | Gold leaching using nitrogen and sulfur aromatic heterocyclic compounds | DU PONT (US) | 1996-10-16 | — | — | CN | disclosed |
| WO-1995011319-A1 | GOLD LIXIVIATION USING NITROGEN AND SULFUR HETEROCYCLIC AROMATIC COMPOUNDS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1995-04-27 | — | — | WO | disclosed |