⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17255730 | 0.57 | — | — | |
| SCHEMBL672132 | 0.57 | — | — | |
| SCHEMBL2755228 | 0.53 | — | — | |
| SCHEMBL7035630 | 0.51 | — | — | |
| SCHEMBL271451 | 0.51 | — | — | |
| SCHEMBL9364357 | 0.51 | — | — | |
| SCHEMBL14790642 | 0.51 | — | — | |
| SCHEMBL9364801 | 0.51 | — | — | |
| SCHEMBL8053089 | 0.51 | — | — | |
| SCHEMBL4343017 | 0.51 | — | — |
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-0248213-B1 | HYDROXYPHENYL- AND HYDROXYPHENOXYALKANOIC ACID IODOPROPARGYL ESTERS | THE DOW CHEMICAL COMPANY (US) | 1991-10-30 | — | — | EP | disclosed |
| US-4731466-A | FUNGICIDES | THE DOW CHEMICAL COMPANY (US) | 1988-03-15 | — | — | US | disclosed |
| EP-0248213-A2 | Hydroxyphenyl- and hydroxyphenoxyalkanoic acid iodopropargyl esters | THE DOW CHEMICAL COMPANY (US) | 1987-12-09 | — | — | EP | disclosed |