⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5850837 | 0.74 | CTSA (0.38) | — | |
| SCHEMBL6049700 | 0.71 | — | — | |
| SCHEMBL8057841 | 0.70 | TP53 (0.39) | — | |
| SCHEMBL11522685 | 0.69 | — | — | |
| SCHEMBL11363033 | 0.68 | — | — | |
| SCHEMBL3828727 | 0.67 | — | — | |
| SCHEMBL8332452 | 0.67 | — | — | |
| SCHEMBL1606169 | 0.64 | CTSA (0.40) | — | |
| SCHEMBL9807032 | 0.63 | — | — | |
| SCHEMBL11792829 | 0.63 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4478832-A | Pesticidal O-(N-alkoxy-substituted-benzimidoyl)-phosphorus esters and thioesters | CHEVRON RESEARCH COMPANY (US) | 1984-10-23 | — | — | US | disclosed |
| US-4473562-A | INSECTICIDE | CHEVRON RESEARCH COMPANY (US) | 1984-09-25 | — | — | US | disclosed |