⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1235849 | 0.98 | — | — | |
| SCHEMBL7663817 | 0.95 | — | — | |
| Carbamic Acid SCHEMBL29080960 | 0.92 | ALDH1A1 (0.39) | — | |
| SCHEMBL5170824 | 0.84 | — | — | |
| SCHEMBL15506127 | 0.82 | ALDH1A1 (0.52) | — | |
| SCHEMBL7449340 | 0.80 | ALDH1A1 (0.50) | — | |
| Ammonia Solution, Strong SCHEMBL9998504 | 0.80 | MEN1 (0.38) | — | |
| Ammonia Solution, Strong SCHEMBL27773895 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL28712837 | 0.77 | NAAA (0.47) | — | |
| SCHEMBL25237284 | 0.77 | MEN1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20040097377-A1 | Pesticidal spinosyn derivates | HAHN DONALD R (US) | 2004-05-20 | — | — | US | disclosed |