⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9225950 | 0.78 | ALOX5 (0.33) | — | |
| SCHEMBL9569271 | 0.76 | — | — | |
| SCHEMBL359722 | 0.75 | ALDH1A1 (0.42) | — | |
| SCHEMBL22645108 | 0.72 | ALDH1A1 (0.40) | — | |
| SCHEMBL11841928 | 0.71 | — | — | |
| SCHEMBL9221320 | 0.69 | — | — | |
| SCHEMBL9223618 | 0.69 | CHRNA4 (0.31) | — | |
| SCHEMBL584774 | 0.67 | — | — | |
| SCHEMBL15978557 | 0.67 | MEN1 (0.33) | — | |
| SCHEMBL9569265 | 0.67 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4411912-A | Insecticidal isovaleric acid esters | ZOECON CORPORATION (US) | 1983-10-25 | — | — | US | disclosed |
| US-4327109-A | INSECTICIDES | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1982-04-27 | — | — | US | disclosed |
| US-4243819-A | Substituted amino acids | ZOECON CORPORATION (US) | 1981-01-06 | — | — | US | disclosed |
| US-4229469-A | Insecticidal alkadienylcyclopropanecarboxylates | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1980-10-21 | — | — | US | disclosed |
| US-3998868-A | INSECTICIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JA) | 1976-12-21 | — | — | US | disclosed |
| US-3954814-A | INSECTICIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JA) | 1976-05-04 | — | — | US | disclosed |
| US-3934023-A | Insecticidal d-cis, trans-chrysanthemates | SUMITOMO CHEMICAL COMPANY, LIMITED (JA) | 1976-01-20 | — | — | US | disclosed |