⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14212533 | 0.91 | DUT (0.33) | — | |
| SCHEMBL12288897 | 0.87 | CA2 (0.32) | — | |
| SCHEMBL14667541 | 0.84 | CA2 (0.38) | — | |
| SCHEMBL13198967 | 0.83 | ALDH1A1 (0.30) | — | |
| SCHEMBL22531727 | 0.82 | — | — | |
| SCHEMBL22531724 | 0.82 | — | — | |
| SCHEMBL2211396 | 0.80 | APLNR (0.40) | — | |
| SCHEMBL2211391 | 0.80 | APLNR (0.40) | — | |
| SCHEMBL7245930 | 0.80 | ALDH1A1 (0.34) | — | |
| SCHEMBL7978233 | 0.80 | ALDH1A1 (0.34) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2521450-B1 | FUNGICIDAL HETEROCYCLIC COMPOUNDS | DU PONT (US) | 2015-02-25 | — | — | EP | disclosed |
| US-8835427-B2 | Fungicidal heterocyclic compounds | E I DU PONT DE NEMOURS AND COMPANY (US) | 2014-09-16 | — | — | US | disclosed |
| US-20120309752-A1 | FUNGICIDAL HETEROCYCLIC COMPOUNDS | E I DU PONT DE NEMOURS AND COMPANY (US) | 2012-12-06 | — | — | US | disclosed |
| EP-2521450-A1 | FUNGICIDAL HETEROCYCLIC COMPOUNDS | E.I. Du Pont De Nemours And Company (US) | 2012-11-14 | — | — | EP | disclosed |
| WO-2011085170-A1 | FUNGICIDAL HETEROCYCLIC COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-07-14 | — | — | WO | disclosed |