⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9945724 | 0.82 | — | — | |
| SCHEMBL3512318 | 0.67 | — | — | |
| SCHEMBL7447553 | 0.58 | — | — | |
| SCHEMBL2936999 | 0.58 | ALDH1A1 (0.35) | — | |
| SCHEMBL9613581 | 0.56 | — | — | |
| SCHEMBL3087333 | 0.55 | — | — | |
| SCHEMBL101996 | 0.55 | — | — | |
| SCHEMBL2387121 | 0.53 | — | — | |
| SCHEMBL665505 | 0.53 | — | — | |
| SCHEMBL204351 | 0.51 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180206497-A1 | ARYLOXYPYRIMIDINYL ETHERS AS HERBICIDES | FMC CORPORATION | 2018-07-26 | — | — | US | disclosed |
| US-20150105549-A1 | INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES | FMC CORPORATION | 2015-04-16 | — | — | US | disclosed |
| EP-2427477-B1 | METHOD FOR THE PREPARATION OF CYCLOPEPTIDES | DSM SINOCHEM PHARM NL BV (NL) | 2014-02-26 | — | — | EP | disclosed |
| US-20110301123-A1 | Fungicidal Heterocyclic Amines | E.I. DU PONT NEMOURS AND COMPANY (US) | 2011-12-08 | — | — | US | disclosed |
| US-7964204-B2 | Isoxazolines for controlling invertebrate pests | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-06-21 | — | — | US | disclosed |
| US-20110136762-A1 | FUNGICIDAL PYRIDAZINES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-06-09 | — | — | US | disclosed |