⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17514460 | 0.88 | — | — | |
| SCHEMBL17514543 | 0.86 | — | — | |
| SCHEMBL17514553 | 0.84 | — | — | |
| SCHEMBL17514848 | 0.82 | — | — | |
| SCHEMBL17514937 | 0.82 | — | — | |
| SCHEMBL17514908 | 0.80 | EGLN2 (0.35) | — | |
| SCHEMBL17514705 | 0.73 | PTGES (0.30) | — | |
| SCHEMBL17514571 | 0.73 | — | — | |
| SCHEMBL17514810 | 0.73 | — | — | |
| SCHEMBL17514466 | 0.72 | MAOB (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 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 |