⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9053977 | 0.88 | — | — | |
| SCHEMBL8763376 | 0.82 | — | — | |
| SCHEMBL3304539 | 0.73 | GAA (0.33) | — | |
| SCHEMBL9711372 | 0.72 | CA12 (0.31) | — | |
| SCHEMBL3103532 | 0.71 | — | — | |
| SCHEMBL5262913 | 0.70 | — | — | |
| SCHEMBL3959202 | 0.69 | — | — | |
| SCHEMBL4291049 | 0.67 | MEN1 (0.38) | — | |
| SCHEMBL9055616 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL5458880 | 0.65 | CA1 (0.42) | — |
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-0619946-B1 | Herbicidal composition for upland farming and weeding method | NIHON NOHYAKU CO LTD (JP) | 1996-06-05 | — | — | EP | claimed |