⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1148136 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL25382328 | 0.89 | — | — | |
| SCHEMBL8521746 | 0.65 | — | — | |
| SCHEMBL9530611 | 0.63 | — | — | |
| SCHEMBL11018694 | 0.62 | NOS3 (0.46) | — | |
| SCHEMBL8145705 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL8325544 | 0.59 | NOS3 (0.42) | — | |
| SCHEMBL1898175 | 0.59 | — | — | |
| SCHEMBL10987124 | 0.59 | — | — | |
| SCHEMBL6761700 | 0.59 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0436481-A1 | Process for preparing 2-acetyl-1-aza-1-cycloalkenes useful as flavor components for bread and rice | RIJKSUNIVERSITEIT GENT Faculteit van de Landbouwwetenschappen Laboratorium voor Organische Scheikunde (BE) | 1991-07-10 | — | — | EP | disclosed |