⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28795471 | 0.90 | GAA (0.32) | — | |
| SCHEMBL1047445 | 0.85 | GAA (0.39) | — | |
| SCHEMBL27974966 | 0.83 | — | — | |
| SCHEMBL27873755 | 0.82 | — | — | |
| SCHEMBL27975270 | 0.80 | TRPV1 (0.30) | — | |
| SCHEMBL27856933 | 0.80 | GAA (0.35) | — | |
| SCHEMBL27891230 | 0.79 | GAA (0.35) | — | |
| SCHEMBL27974954 | 0.78 | DPP4 (0.31) | — | |
| SCHEMBL28793981 | 0.76 | KDM4E (0.34) | — | |
| SCHEMBL27974963 | 0.76 | GAA (0.36) | — |
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-102459254-A | Thiazolylpiperidine derivatives as fungicides | BAYER CROPSCIENCE AG | 2012-05-16 | — | — | CN | disclosed |