⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5685779 | 0.69 | — | — | |
| SCHEMBL19322193 | 0.67 | — | — | |
| SCHEMBL13036571 | 0.67 | — | — | |
| SCHEMBL16867758 | 0.67 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL23450346 | 0.65 | — | — | |
| SCHEMBL6957026 | 0.65 | — | — | |
| SCHEMBL16665117 | 0.65 | — | — | |
| SCHEMBL3040712 | 0.65 | — | — | |
| SCHEMBL11224600 | 0.65 | — | — | |
| SCHEMBL21670451 | 0.63 | — | — |
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-2016012362-A1 | SUBSTITUTED CYANO CYCLOALKYL PENTA-2,4-DIENES, CYANO CYCLOALKYL PENT-2-EN-4-YNES, CYANO HETEROCYCLYL PENTA-2,4-DIENES AND CYANO HETEROCYCLYL PENT-2-EN-4-YNES AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-01-28 | — | — | WO | disclosed |