⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3939007 | 1.00 | — | — | |
| SCHEMBL3941312 | 0.93 | — | — | |
| SCHEMBL12765086 | 0.93 | — | — | |
| SCHEMBL2760263 | 0.93 | — | — | |
| SCHEMBL28218472 | 0.85 | DPP4 (0.42) | — | |
| SCHEMBL31105494 | 0.82 | — | — | |
| SCHEMBL15316993 | 0.78 | — | — | |
| SCHEMBL4758300 | 0.78 | — | — | |
| SCHEMBL7024273 | 0.76 | — | — | |
| SCHEMBL2090378 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3650447-A1 | NEW SELECTIVE MODULATORS OF INSECT NICOTINIC ACETYLCHOLINE RECEPTORS | Universite de Nantes (FR) | 2020-05-13 | — | — | EP | disclosed |