⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4597097 | 0.69 | CYP11B1 (0.34) | — | |
| SCHEMBL1138375 | 0.65 | ACACB (0.37) | — | |
| SCHEMBL4487928 | 0.64 | CYP11B1 (0.32) | — | |
| SCHEMBL26145880 | 0.63 | L3MBTL1 (0.39) | — | |
| SCHEMBL1138397 | 0.62 | TDP1 (0.31) | — | |
| SCHEMBL1138599 | 0.61 | IRAK4 (0.40) | — | |
| SCHEMBL1138382 | 0.61 | IRAK4 (0.40) | — | |
| SCHEMBL1138383 | 0.61 | IRAK4 (0.40) | — | |
| SCHEMBL15711473 | 0.60 | — | — | |
| SCHEMBL1138198 | 0.58 | FFAR1 (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1885712-A1 | NEW 2-PYRIDINYLCYCLOALKYLCARBOXAMIDE DERIVATIVES AS FUNGICIDES. | BAYER CROPSCIENCE SA (FR) | 2008-02-13 | — | — | EP | disclosed |
| WO-2006122955-A1 | NEW 2-PYRIDINYLCYCLOALKYLCARBOXAMIDE DERIVATIVES AS FUNGICIDES. | BAYER CROPSCIENCE SA (FR) | 2006-11-23 | — | — | WO | disclosed |