⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL547690 | 0.73 | LMNA (0.30) | — | |
| SCHEMBL547519 | 0.71 | HTT (0.31) | — | |
| SCHEMBL20221690 | 0.69 | DPP4 (0.30) | — | |
| SCHEMBL7374672 | 0.69 | SLC6A4 (0.31) | — | |
| SCHEMBL10432677 | 0.68 | AKR1C1 (0.45) | — | |
| SCHEMBL27944337 | 0.64 | — | — | |
| SCHEMBL16638026 | 0.63 | KDM4E (0.32) | — | |
| SCHEMBL27760739 | 0.62 | — | — | |
| SCHEMBL27831641 | 0.61 | — | — | |
| SCHEMBL2979879 | 0.61 | KDM4E (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1937921-A | 5,6-cycloalkyl-7-aminotriazolopyrimidines, method for production and use thereof for the prevention of fungal pests and agents comprising the same | BASF AG (DE) | 2007-03-28 | — | — | CN | disclosed |