⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13204981 | 1.00 | — | — | |
| SCHEMBL13204986 | 0.83 | — | — | |
| SCHEMBL13205570 | 0.83 | — | — | |
| SCHEMBL9588346 | 0.83 | — | — | |
| SCHEMBL11526240 | 0.79 | — | — | |
| SCHEMBL680066 | 0.75 | — | — | |
| SCHEMBL12831512 | 0.75 | — | — | |
| SCHEMBL1550097 | 0.75 | — | — | |
| SCHEMBL18193539 | 0.74 | — | — | |
| SCHEMBL3155768 | 0.74 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220142165-A1 | HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE | NIPPON SODA CO., LTD. (JP) | 2022-05-12 | — | — | US | disclosed |
| EP-3939975-A1 | HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL BACTERICIDE | Nippon Soda Co., Ltd. (JP) | 2022-01-19 | — | — | EP | disclosed |
| US-7781469-B2 | Arylacetate derivatives having isoxazole skeleton | SHIONOGI & CO., LTD. (JP) | 2010-08-24 | — | — | US | disclosed |
| US-20090062531-A1 | Arylacetate Derivatives Having Isoxazole Skeleton | SHIONOGI & CO., LTD. (JP) | 2009-03-05 | — | — | US | disclosed |
| US-7449471-B2 | 5-phenylpyrimidines, their preparation, compositions comprising them and their use | BASF AKTIENGESELLSCHAFT (DE) | 2008-11-11 | — | — | US | disclosed |
| US-20070149551-A1 | 5-PHENYLPYRIMIDINES, THEIR PREPARATION, COMPOSITIONS COMPRISING THEM AND THEIR USE | GYPSER ANDREAS | 2007-06-28 | — | — | US | disclosed |
| US-6710062-B1 | FUNGICIDAL COMPOUND HAVING A CYANOMETHYLENE GROUP BONDED TO THE 2- POSITION ON THE THIAZOLIDINE RING | OTSUKA CHEMICAL CO., LTD. (JP) | 2004-03-23 | — | — | US | disclosed |
| EP-1243584-A1 | CYANOMETHYLENE COMPOUNDS, PROCESS FOR PRODUCING THE SAME, AND AGRICULTURAL OR HORTICULTURAL BACTERICIDE | OTSUKA CHEMICAL COMPANY, LIMITED (JP) | 2002-09-25 | — | — | EP | disclosed |
| US-5254717-A | Imino-substituted phenyl derivatives, the preparation thereof and fungicides containing these | BASF AKTIENGESELLSCHAFT (DE) | 1993-10-19 | — | — | US | disclosed |