⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28903145 | 0.72 | — | — | |
| SCHEMBL10901888 | 0.72 | — | — | |
| SCHEMBL3623991 | 0.72 | — | — | |
| SCHEMBL10150892 | 0.72 | — | — | |
| SCHEMBL1133791 | 0.69 | — | — | |
| SCHEMBL7769047 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL7769045 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL15448059 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL605471 | 0.67 | — | — | |
| Isobutyraldehyde SCHEMBL8517679 | 0.67 | LMNA (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113166143-A | N-1 branched alkyl ether substituted imidazo [4,5-c ] quinoline compounds, compositions, and methods | 3M创新有限公司 | 2021-07-23 | — | — | CN | disclosed |
| WO-2016087593-A1 | NOVEL FUNGICIDAL QUINOLINYLAMIDINES | SYNGENTA PARTICIPATIONS AG (CH) | 2016-06-09 | — | — | WO | disclosed |
| US-20140018377-A1 | Aminopropenoates as Fungicides | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-01-16 | — | — | US | disclosed |
| US-8476197-B2 | Aminopropenoates as fungicides | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-07-02 | — | — | US | disclosed |
| US-20110152322-A1 | Aminopropenoates as Fungicides | BAYER CROPSCIENCE AG (DE) | 2011-06-23 | — | — | US | disclosed |