⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL261502 | 0.87 | — | — | |
| Butane SCHEMBL7757926 | 0.80 | APLNR (0.48) | — | |
| SCHEMBL20299959 | 0.73 | APLNR (0.60) | — | |
| Propynal SCHEMBL3631191 | 0.67 | — | — | |
| SCHEMBL825898 | 0.67 | — | — | |
| SCHEMBL263643 | 0.65 | — | — | |
| SCHEMBL27461076 | 0.65 | — | — | |
| Butane SCHEMBL705926 | 0.63 | — | — | |
| Butane SCHEMBL3850680 | 0.63 | — | — | |
| SCHEMBL13431158 | 0.62 | APLNR (0.56) | — |
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-5502073-A | INSECTICIDES OR ANTHELMINTICS | THE WELLCOME FOUNDATION (GB) | 1996-03-26 | — | — | US | disclosed |