⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL35605 | 0.87 | — | — | |
| SCHEMBL23034417 | 0.87 | — | — | |
| SCHEMBL31274088 | 0.87 | — | — | |
| Bicarbonate SCHEMBL1820398 | 0.86 | MAPK1 (0.33) | — | |
| SCHEMBL284166 | 0.85 | SLC6A4 (0.31) | — | |
| SCHEMBL3411687 | 0.85 | SLC6A4 (0.31) | — | |
| Bromide SCHEMBL14876845 | 0.85 | SLC6A4 (0.31) | — | |
| Hydrochloric Acid SCHEMBL1790308 | 0.85 | SLC6A4 (0.31) | — | |
| Iodide SCHEMBL14877122 | 0.85 | SLC6A4 (0.31) | — | |
| SCHEMBL28066472 | 0.85 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8309695-B2 | Marking reagents bearing diazo and nitro functions, methods for the synthesis of such reagents and methods for detecting biological molecules | BIOMERIEUX (FR) | 2012-11-13 | — | — | US | disclosed |
| US-20100136538-A1 | MARKING REAGENTS BEARING DIAZO AND NITRO FUNCTIONS, METHODS FOR THE SYNTHESIS OF SUCH REAGENTS AND METHODS FOR DETECTING BIOLOGICAL MOLECULES | BIOMERIEUX (FR) | 2010-06-03 | — | — | US | disclosed |
| US-4322523-A | Methylolated mono- and oligosaccharides | BAYER AKTIENGESELLSCHAFT (DE) | 1982-03-30 | — | — | US | disclosed |
| US-4293658-A | POLYURETHANES, PHENOL, FORMALDEHYDE POLYOL | ABBOTT LABORATORIES (US) | 1981-10-06 | — | — | US | disclosed |