⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4056154 | 0.76 | CA12 (0.39) | — | |
| SCHEMBL4046983 | 0.67 | CTSK (0.38) | — | |
| SCHEMBL4047731 | 0.67 | CASP6 (0.37) | — | |
| SCHEMBL4897233 | 0.61 | — | — | |
| SCHEMBL4048383 | 0.56 | BTK (0.38) | — | |
| SCHEMBL12238501 | 0.56 | SLC1A3 (0.30) | — | |
| SCHEMBL25543680 | 0.55 | HSD17B10 (0.48) | — | |
| SCHEMBL4050749 | 0.55 | — | — | |
| SCHEMBL12238486 | 0.55 | — | — | |
| SCHEMBL2539080 | 0.54 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090318432-A1 | Nitrate esters of aminoalcohols | SPEEDEL EXPERIMENTA AG (CH) | 2009-12-24 | — | — | US | disclosed |
| EP-2061751-A1 | NITRATE ESTERS OF AMINOALCOHOLS | Novartis Ag (CH) | 2009-05-27 | — | — | EP | disclosed |
| WO-2008031811-A1 | NITRATE ESTERS OF AMINOALCOHOLS | SPEEDEL EXPERIMENTA AG (CH) | 2008-03-20 | — | — | WO | disclosed |