⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13170207 | 0.73 | CHRM1 (0.30) | — | |
| SCHEMBL19524924 | 0.73 | CHRM1 (0.30) | — | |
| SCHEMBL13170208 | 0.71 | — | — | |
| SCHEMBL13190639 | 0.70 | — | — | |
| SCHEMBL2741162 | 0.70 | — | — | |
| SCHEMBL2741146 | 0.68 | LMNA (0.40) | — | |
| SCHEMBL12269599 | 0.67 | — | — | |
| SCHEMBL14212502 | 0.67 | — | — | |
| SCHEMBL12269642 | 0.63 | MAOB (0.37) | — | |
| SCHEMBL18754443 | 0.62 | — | — |
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-9920030-B2 | Fungicidal azocyclic amides | E I DU PONT DE NEMOURS AND COMPANY (US) | 2018-03-20 | — | — | US | disclosed |