⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3754947 | 0.75 | KDM1A (0.37) | — | |
| SCHEMBL21356327 | 0.74 | AHR (0.40) | — | |
| SCHEMBL29381344 | 0.74 | AHR (0.40) | — | |
| SCHEMBL900658 | 0.69 | MAPK1 (0.38) | — | |
| SCHEMBL31376053 | 0.67 | TSHR (0.46) | — | |
| SCHEMBL21585895 | 0.67 | ALDH1A1 (0.39) | — | |
| SCHEMBL3762049 | 0.67 | CA1 (0.31) | — | |
| SCHEMBL17193555 | 0.67 | CD44 (0.41) | — | |
| SCHEMBL21995434 | 0.65 | PYCR1 (0.46) | — | |
| SCHEMBL3316990 | 0.65 | IDO1 (0.55) | — |
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 |