⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17514554 | 0.86 | CHRM5 (0.30) | — | |
| SCHEMBL17514708 | 0.86 | RAPGEF4 (0.32) | — | |
| SCHEMBL2050039 | 0.85 | TAAR1 (0.37) | — | |
| SCHEMBL17514462 | 0.82 | NFE2L2 (0.31) | — | |
| SCHEMBL17514920 | 0.82 | EGLN2 (0.36) | — | |
| SCHEMBL2015118 | 0.79 | MAPK1 (0.30) | — | |
| SCHEMBL434297 | 0.79 | HSD11B1 (0.36) | — | |
| SCHEMBL16720209 | 0.78 | CA3 (0.38) | — | |
| SCHEMBL17514970 | 0.78 | — | — | |
| SCHEMBL17514582 | 0.76 | — | — |
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 |