⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17469063 | 0.90 | — | — | |
| SCHEMBL15482681 | 0.74 | FNTA (0.30) | — | |
| SCHEMBL17469187 | 0.69 | — | — | |
| SCHEMBL22184277 | 0.65 | CHRNB2 (0.33) | — | |
| SCHEMBL4199122 | 0.64 | LTB4R (0.34) | — | |
| SCHEMBL4199120 | 0.64 | LTB4R (0.34) | — | |
| SCHEMBL15482619 | 0.63 | ALDH1A1 (0.30) | — | |
| SCHEMBL17469184 | 0.61 | CES1 (0.35) | — | |
| SCHEMBL17604802 | 0.61 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL1531508 | 0.61 | SMN1; SMN2 (0.35) | — |
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 |