⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL28009553 | 0.82 | — | — | |
| SCHEMBL49968 | 0.82 | — | — | |
| SCHEMBL9005255 | 0.80 | — | — | |
| Iodide SCHEMBL6602950 | 0.76 | — | — | |
| SCHEMBL31633383 | 0.76 | — | — | |
| Trimethylammonium SCHEMBL9185431 | 0.76 | ALDH1A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL2249105 | 0.76 | — | — | |
| Bromide SCHEMBL28515830 | 0.76 | — | — | |
| SCHEMBL21408204 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL640462 | 0.76 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106164024-A | Synthesis method | 圣安德鲁斯大学董事会 | 2016-11-23 | — | — | CN | disclosed |
| CN-101516829-B | Method for producing high-purity quaternary ammonium salt | OTSUKA CHEMICAL CO LTD | 2013-01-16 | — | — | CN | disclosed |
| CN-101516862-B | Method for producing high-purity quaternary ammonium salt | OTSUKA CHEMICAL CO.,LTD. (JP) | 2012-02-01 | — | — | CN | disclosed |
| CN-101516862-A | Method for producing high-purity quaternary ammonium salt | OTSUKA CHEMICAL CO LTD (JP) | 2009-08-26 | — | — | CN | disclosed |
| CN-101516829-A | Method for producing high-purity quaternary ammonium salt | OTSUKA CHEMICAL CO LTD (JP) | 2009-08-26 | — | — | CN | disclosed |
| CN-1302021-C | Non-aqueous absorbent and use thereof | SANYO CHEMICAL IND LTD (JP) | 2007-02-28 | — | — | CN | disclosed |
| CN-1610703-A | Non-aqueous absorbent and use thereof | SANYO CHEMICAL IND LTD (JP) | 2005-04-27 | — | — | CN | disclosed |