⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27727884 | 0.85 | GRM5 (0.33) | — | |
| SCHEMBL27748976 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL28801561 | 0.84 | MAPK8 (0.33) | — | |
| SCHEMBL27727945 | 0.84 | GRM5 (0.31) | — | |
| SCHEMBL27749142 | 0.76 | MALT1 (0.31) | — | |
| SCHEMBL28777089 | 0.74 | TRPV1 (0.31) | — | |
| SCHEMBL951524 | 0.74 | F10 (0.34) | — | |
| SCHEMBL27748962 | 0.74 | — | — | |
| SCHEMBL27728014 | 0.73 | PSD (0.30) | — | |
| SCHEMBL27727872 | 0.73 | TRPV1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101287721-B | Hydrazide compound and pesticidal use of the same | SUMITOMO CO LTD | 2013-03-27 | — | — | CN | disclosed |
| CN-101287721-A | Hydrazide compound and pesticidal use of the same | SUMITOMO CHEMICAL CO (JP) | 2008-10-15 | — | — | CN | disclosed |