⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2048481 | 0.63 | — | — | |
| SCHEMBL2710212 | 0.60 | — | — | |
| SCHEMBL10957637 | 0.56 | — | — | |
| SCHEMBL2048480 | 0.53 | — | — | |
| SCHEMBL2041655 | 0.51 | — | — | |
| SCHEMBL2249179 | 0.48 | ALDH1A1 (0.52) | — | |
| SCHEMBL3469093 | 0.48 | ALDH1A1 (0.44) | — | |
| SCHEMBL3518192 | 0.47 | ALDH1A1 (0.38) | — | |
| SCHEMBL651428 | 0.45 | MEN1 (0.75) | — | |
| SCHEMBL21324 | 0.45 | — | — |
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-2007043677-A9 | HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME | SUMITOMO CHEMICAL CO (JP) | 2007-06-07 | — | — | WO | disclosed |