⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1044921 | 0.78 | ALDH1A1 (0.45) | — | |
| SCHEMBL3759267 | 0.74 | ALDH1A1 (0.44) | — | |
| SCHEMBL3753026 | 0.74 | MAPT (0.38) | — | |
| SCHEMBL443414 | 0.72 | CES2 (0.32) | — | |
| SCHEMBL1322094 | 0.69 | CYP1A2 (0.45) | — | |
| SCHEMBL10801278 | 0.69 | IDO1 (0.32) | — | |
| SCHEMBL5407717 | 0.69 | IDO1 (0.32) | — | |
| SCHEMBL1223114 | 0.69 | PTGS2 (0.37) | — | |
| SCHEMBL17910956 | 0.69 | LMNA (0.43) | — | |
| SCHEMBL1684131 | 0.69 | SLC6A4 (0.44) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8426631-B2 | Fungicidal compounds, method for the production thereof, and use thereof to combat damaging fungi, and agents comprising the same | BASF SE (DE) | 2013-04-23 | — | — | US | disclosed |
| US-20100304966-A1 | Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same | BASF SE (DE) | 2010-12-02 | — | — | US | disclosed |