⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17514661 | 0.86 | — | — | |
| SCHEMBL17514576 | 0.85 | HTR5A (0.31) | — | |
| SCHEMBL17514673 | 0.82 | — | — | |
| SCHEMBL15636867 | 0.79 | CA1 (0.32) | — | |
| SCHEMBL17514588 | 0.78 | EGLN2 (0.34) | — | |
| SCHEMBL17514725 | 0.74 | PDK2 (0.31) | — | |
| SCHEMBL5047787 | 0.72 | CD44 (0.35) | — | |
| SCHEMBL17514500 | 0.71 | MEN1 (0.37) | — | |
| SCHEMBL17514669 | 0.71 | RAPGEF4 (0.33) | — | |
| SCHEMBL9728771 | 0.71 | TAAR1 (0.34) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016026830-A1 | NOVEL FUNGICIDAL PYRAZOLE DERIVATIVES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-02-25 | — | — | WO | disclosed |