⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3209597 | 0.66 | — | — | |
| SCHEMBL9568850 | 0.63 | — | — | |
| SCHEMBL11804636 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL25222014 | 0.59 | — | — | |
| SCHEMBL16911015 | 0.58 | — | — | |
| SCHEMBL2817374 | 0.57 | — | — | |
| SCHEMBL3212824 | 0.56 | — | — | |
| SCHEMBL514708 | 0.55 | — | — | |
| SCHEMBL6554829 | 0.55 | — | — | |
| SCHEMBL6554599 | 0.55 | — | — |
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-20050171064-A1 | Insecticide for Acarina comprising synergistic mixture including a 4-nitroimino or 4-cyanoimino 1,3,5-oxadiazine such as 5-(2-chlorothiazol-5-ylmethyl)-3-methyl-4-nitroimino-perhydro-1,3,5-oxadiazine and another pesticide such as pirimicarb | SENN ROBERT (CH) | 2005-08-04 | — | — | US | disclosed |