⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2754376 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL7177724 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL11070461 | 0.71 | ALDH1A1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL7717766 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL251192 | 0.67 | — | — | |
| Bromide SCHEMBL29011443 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL1858709 | 0.61 | PYCR1 (0.32) | — | |
| SCHEMBL16056327 | 0.59 | — | — | |
| SCHEMBL2107571 | 0.59 | MEN1 (0.36) | — | |
| SCHEMBL7568436 | 0.59 | ALDH1A1 (0.32) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8349870-B2 | Fungicidal hetercyclic compounds | E I DU PONT DE NEMOURS AND COMPANY (US) | 2013-01-08 | — | — | US | claimed |
| EP-2402332-A2 | Fungicidal heterocyclic compounds | E.I. Du Pont De Nemours And Company (US) | 2012-01-04 | — | — | EP | claimed |
| EP-2260032-A2 | FUNGICIDAL HETERCYCLIC COMPOUNDS | E. I. du Pont de Nemours and Company (US) | 2010-12-15 | — | — | EP | claimed |
| US-20100292275-A1 | FUNGICIDAL HETEROCYCLIC COMPOUNDS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2010-11-18 | — | — | US | claimed |
| US-20100286147-A1 | FUNGICIDAL AMIDES | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2010-11-11 | — | — | US | claimed |
| EP-2238133-A2 | FUNGICIDAL AMIDES | E. I. du Pont de Nemours and Company (US) | 2010-10-13 | — | — | EP | claimed |
| WO-2009094445-A2 | FUNGICIDAL HETERCYCLIC COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-07-30 | — | — | WO | claimed |
| WO-2009094407-A2 | FUNGICIDAL AMIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-07-30 | — | — | WO | claimed |
| US-8349870-B2 | Fungicidal hetercyclic compounds | E I DU PONT DE NEMOURS AND COMPANY (US) | 2013-01-08 | — | — | US | disclosed |
| EP-2402332-A2 | Fungicidal heterocyclic compounds | E.I. Du Pont De Nemours And Company (US) | 2012-01-04 | — | — | EP | disclosed |
| EP-2260032-A2 | FUNGICIDAL HETERCYCLIC COMPOUNDS | E. I. du Pont de Nemours and Company (US) | 2010-12-15 | — | — | EP | disclosed |
| US-20100292275-A1 | FUNGICIDAL HETEROCYCLIC COMPOUNDS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2010-11-18 | — | — | US | disclosed |
| US-20100286147-A1 | FUNGICIDAL AMIDES | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2010-11-11 | — | — | US | disclosed |
| EP-2238133-A2 | FUNGICIDAL AMIDES | E. I. du Pont de Nemours and Company (US) | 2010-10-13 | — | — | EP | disclosed |
| WO-2009094445-A2 | FUNGICIDAL HETERCYCLIC COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-07-30 | — | — | WO | disclosed |
| WO-2009094407-A2 | FUNGICIDAL AMIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-07-30 | — | — | WO | disclosed |