⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9538013 | 1.00 | — | — | |
| SCHEMBL137154 | 0.78 | — | — | |
| SCHEMBL499145 | 0.78 | — | — | |
| SCHEMBL483199 | 0.78 | — | — | |
| SCHEMBL499144 | 0.78 | — | — | |
| SCHEMBL102759 | 0.78 | — | — | |
| SCHEMBL5909458 | 0.67 | TSHR (0.73) | — | |
| SCHEMBL10973744 | 0.64 | TSHR (0.67) | — | |
| SCHEMBL10973746 | 0.64 | TSHR (0.67) | — | |
| SCHEMBL3351891 | 0.64 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1200108-A | Esters as pesticides | BAYER AG (DE) | 1998-11-25 | — | — | CN | claimed |
| US-6004992-A | COMPOUNDS AS PESTICIDES, NEMATOCIDES, MITICIDE FROM ESTER DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-12-21 | — | — | US | disclosed |
| CN-1200108-A | Esters as pesticides | BAYER AG (DE) | 1998-11-25 | — | — | CN | disclosed |
| WO-1993003113-A1 | LIQUID-CRYSTAL COMPOUNDS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1993-02-18 | — | — | WO | disclosed |