⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13288549 | 0.91 | KMT2A (0.31) | — | |
| SCHEMBL14490562 | 0.89 | — | — | |
| SCHEMBL13096259 | 0.84 | ACACB (0.34) | — | |
| SCHEMBL13071276 | 0.81 | KMT2A (0.36) | — | |
| SCHEMBL13244215 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL13266737 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL13071535 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL14372092 | 0.77 | ACACB (0.35) | — | |
| SCHEMBL13244218 | 0.76 | KMT2A (0.33) | — | |
| SCHEMBL12362025 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2253207-A1 | Substituted phenyl acetic acid esters | Bayer CropScience AG (DE) | 2010-11-24 | — | — | EP | disclosed |
| EP-2216316-A1 | Phenyl acetic acid derivatives | Bayer CropScience Aktiengesellschaft (DE) | 2010-08-11 | — | — | EP | disclosed |
| EP-2216317-A1 | Phenyl acetic acid halogenides | Bayer CropScience AG (DE) | 2010-08-11 | — | — | EP | disclosed |
| US-20100174084-A1 | 2-Alkoxy-6-alkyl-phenyl-substituted Spirocyclic Tetramic Acid Derivatives | BAYER CROPSCIENCE AG (DE) | 2010-07-08 | — | — | US | disclosed |
| US-20100174084-A1 | 2-Alkoxy-6-alkyl-phenyl-substituted Spirocyclic Tetramic Acid Derivatives | BAYER CROPSCIENCE AG (DE) | 2010-07-08 | — | — | US | disclosed |
| US-7718186-B2 | 2-alkoxy-6-alkylphenyl-substituted spirocyclic tetramic acid derivatives | BAYER CROPSCIENCE AG (DE) | 2010-05-18 | — | — | US | disclosed |
| US-7718186-B2 | 2-alkoxy-6-alkylphenyl-substituted spirocyclic tetramic acid derivatives | BAYER CROPSCIENCE AG (DE) | 2010-05-18 | — | — | US | disclosed |
| US-20080220973-A1 | 2-Alkoxy-6-Alkyl-Phenyl-Substituted Spirocyclic Tetramic Acid Derivatives | BAYER CROPSCIENCE AG (DE) | 2008-09-11 | — | — | US | disclosed |
| US-20080220973-A1 | 2-Alkoxy-6-Alkyl-Phenyl-Substituted Spirocyclic Tetramic Acid Derivatives | BAYER CROPSCIENCE AG (DE) | 2008-09-11 | — | — | US | disclosed |