⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5628424 | 0.68 | — | — | |
| SCHEMBL6956059 | 0.68 | — | — | |
| SCHEMBL8684387 | 0.68 | HCAR2 (0.44) | — | |
| SCHEMBL8684557 | 0.61 | — | — | |
| SCHEMBL8684825 | 0.61 | — | — | |
| Bicarbonate SCHEMBL28612498 | 0.61 | — | — | |
| SCHEMBL5917987 | 0.61 | — | — | |
| SCHEMBL6967993 | 0.61 | — | — | |
| SCHEMBL4243748 | 0.61 | — | — | |
| SCHEMBL6967989 | 0.61 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5716974-A | TREATING FUNGAL PLANT DISEASES | ISAGRO S.P.A. (IT) | 1998-02-10 | — | — | US | claimed |
| EP-0662477-A1 | Heterobicyclic compounds with fungicidal activity | ISAGRO S.p.A. (IT) | 1995-07-12 | — | — | EP | claimed |
| US-5716974-A | TREATING FUNGAL PLANT DISEASES | ISAGRO S.P.A. (IT) | 1998-02-10 | — | — | US | disclosed |
| EP-0662477-A1 | Heterobicyclic compounds with fungicidal activity | ISAGRO S.p.A. (IT) | 1995-07-12 | — | — | EP | disclosed |