⚠ 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 | |
|---|---|---|---|---|
| Methoxymethane SCHEMBL28489493 | 0.75 | TSHR (0.44) | — | |
| SCHEMBL28183992 | 0.74 | — | — | |
| SCHEMBL9263129 | 0.74 | — | — | |
| SCHEMBL9416833 | 0.71 | ALDH1A1 (0.47) | — | |
| SCHEMBL707741 | 0.70 | — | — | |
| SCHEMBL138469 | 0.70 | — | — | |
| SCHEMBL1671160 | 0.69 | ALDH1A1 (0.44) | — | |
| SCHEMBL626444 | 0.69 | — | — | |
| SCHEMBL607413 | 0.69 | — | — | |
| SCHEMBL30073299 | 0.69 | ALDH1A1 (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-1567480-A1 | N-ALKYNYL-2-(SUBSTITUTED PHENOXY) ALKYLAMIDES AND THEIR USE AS FUNGICIDES | Syngenta Limited (GB) | 2005-08-31 | — | — | EP | disclosed |
| WO-2004048316-A1 | N-ALKYNYL-2- (SUBSTITUTED PHENOXY) ALKYLAMIDES AND THEIR USE AS FUNGICIDES | SYNGENTA LIMITED (GB) | 2004-06-10 | — | — | WO | disclosed |
| US-4062977-A | Substituted-N-(1,1-disubstituted ethyl)-α-(substituted phenoxy)-α-alkoxyacetamides and their use as miticides | STAUFFER CHEMICAL COMPANY (US) | 1977-12-13 | — | — | US | disclosed |