⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2014802 | 0.76 | ALDH1A1 (0.44) | — | |
| SCHEMBL21402172 | 0.72 | — | — | |
| SCHEMBL6755485 | 0.72 | CHRM5 (0.43) | — | |
| SCHEMBL24612947 | 0.71 | MAPT (0.39) | — | |
| SCHEMBL13716805 | 0.71 | MAPT (0.35) | — | |
| SCHEMBL434835 | 0.70 | — | — | |
| SCHEMBL10747293 | 0.69 | TDP1 (0.48) | — | |
| SCHEMBL9828621 | 0.68 | CHRM5 (0.47) | — | |
| SCHEMBL18966709 | 0.68 | CHRM5 (0.57) | — | |
| SCHEMBL509970 | 0.68 | POLB (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1050528-B1 | Fungicidal and insecticidal benzyloxy cyclopropyl substituted aromatic compounds | DOW AGROSCIENCES LLC (US) | 2003-01-22 | — | — | EP | disclosed |
| US-6335367-B1 | Fungicidal and insecticidal benzyloxy cyclopropyl substituted aromatic compounds | DOW AGROSCIENCES LLC | 2002-01-01 | — | — | US | disclosed |
| EP-0216299-A1 | Quinoxaline derivatives, method for their preparartion and their use to protect cultivated plants against phytotoxical reaction of herbicides | BASF Aktiengesellschaft (DE) | 1987-04-01 | — | — | EP | disclosed |