⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL441729 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL2028541 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL385408 | 0.61 | — | — | |
| SCHEMBL6234101 | 0.61 | — | — | |
| SCHEMBL387490 | 0.61 | — | — | |
| SCHEMBL387752 | 0.61 | — | — | |
| SCHEMBL387243 | 0.61 | — | — | |
| SCHEMBL6682684 | 0.61 | — | — | |
| SCHEMBL387456 | 0.61 | — | — | |
| SCHEMBL2357683 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0623125-A1 | BRIDGED HETEROCYCLIC FUNGICIDES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1994-11-09 | — | — | EP | disclosed |
| WO-1993014080-A1 | BRIDGED HETEROCYCLIC FUNGICIDES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-07-22 | — | — | WO | disclosed |