⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1750122 | 0.78 | PKM (0.34) | — | |
| SCHEMBL4735883 | 0.72 | FDPS (0.37) | — | |
| SCHEMBL9182265 | 0.62 | PKM (0.41) | — | |
| SCHEMBL7322796 | 0.62 | — | — | |
| SCHEMBL16935662 | 0.61 | ADH1B (0.41) | — | |
| SCHEMBL23489423 | 0.59 | ADH1B (0.43) | — | |
| SCHEMBL449961 | 0.58 | PAOX (0.48) | — | |
| Acetic Acid SCHEMBL8065006 | 0.58 | GPR84 (0.50) | — | |
| Formic Acid SCHEMBL5346406 | 0.58 | FDPS (0.50) | — | |
| Acetic Acid SCHEMBL2204888 | 0.58 | GPR84 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5434202-A | N-(β-carbony- and β-cyanovinyl)-2,2,6,6-tetramethyl-piperidine derivatives | BASF AKTIENGESELLSCHAFT (DE) | 1995-07-18 | — | — | US | disclosed |