⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1965267 | 0.77 | KDM1A (0.38) | — | |
| SCHEMBL16401243 | 0.72 | GRM5 (0.36) | — | |
| SCHEMBL1966250 | 0.69 | GAA (0.34) | — | |
| SCHEMBL25275893 | 0.63 | ITGB3 (0.30) | — | |
| SCHEMBL2225143 | 0.62 | — | — | |
| SCHEMBL5920390 | 0.62 | LMNA (0.59) | — | |
| SCHEMBL2343555 | 0.62 | — | — | |
| SCHEMBL14157270 | 0.61 | LMNA (0.32) | — | |
| SCHEMBL59155 | 0.59 | — | — | |
| SCHEMBL14157206 | 0.59 | GRM5 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2336104-A1 | ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE | Nissan Chemical Industries, Ltd. (JP) | 2011-06-22 | — | — | EP | disclosed |