⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9838837 | 1.00 | — | — | |
| SCHEMBL9502431 | 0.70 | — | — | |
| SCHEMBL28675880 | 0.70 | — | — | |
| SCHEMBL6688901 | 0.70 | — | — | |
| SCHEMBL9197149 | 0.70 | — | — | |
| SCHEMBL29720342 | 0.70 | — | — | |
| SCHEMBL3740723 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL28495107 | 0.67 | — | — | |
| SCHEMBL12948127 | 0.65 | — | — | |
| SCHEMBL22627535 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017005673-A1 | NITROGENOUS HETEROCYCLES AS A PESTICIDE | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2017-01-12 | — | — | WO | disclosed |
| EP-0259738-B1 | HETEROCYCLIC COMPOUNDS | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1991-04-03 | — | — | EP | disclosed |
| EP-0259738-A2 | Heterocyclic compounds | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1988-03-16 | — | — | EP | disclosed |