⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7534741 | 1.00 | — | — | |
| SCHEMBL2058873 | 0.87 | — | — | |
| SCHEMBL2058801 | 0.85 | MEN1 (0.34) | — | |
| SCHEMBL439569 | 0.85 | MEN1 (0.34) | — | |
| SCHEMBL2058788 | 0.82 | IMPDH2 (0.34) | — | |
| SCHEMBL437147 | 0.82 | MEN1 (0.30) | — | |
| SCHEMBL3419268 | 0.82 | MEN1 (0.30) | — | |
| SCHEMBL436200 | 0.82 | CA1 (0.30) | — | |
| SCHEMBL7918126 | 0.82 | CA1 (0.30) | — | |
| SCHEMBL11047042 | 0.78 | MEN1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7968598-B2 | Pesticides; 4-methoxy- or 4-allyl-2,3,5,6-tetrafluorobenzyl (1R)-trans-3-(2-cyano-1-propenyl)-2,2-dimethylcyclopropanecarboxylate | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-06-28 | — | — | US | disclosed |
| US-20100035985-A1 | Ester Compound and Use Thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-02-11 | — | — | US | disclosed |
| EP-0926129-B1 | Ester compound and pesticide containing it | SUMITOMO CHEMICAL CO (JP) | 2002-03-20 | — | — | EP | disclosed |