⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3682317 | 1.00 | — | — | |
| SCHEMBL20536665 | 0.87 | — | — | |
| SCHEMBL28666159 | 0.87 | — | — | |
| SCHEMBL20536664 | 0.87 | — | — | |
| SCHEMBL20537141 | 0.82 | — | — | |
| SCHEMBL20536979 | 0.82 | — | — | |
| SCHEMBL23855324 | 0.78 | — | — | |
| SCHEMBL26377914 | 0.75 | — | — | |
| SCHEMBL17479884 | 0.73 | — | — | |
| SCHEMBL25192853 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7834220-B2 | 5,5-Diethoxy-(Z3)-3-Pentenyl Methoxymethyl Ether and Preparation Method Thereof | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2010-11-16 | — | — | US | disclosed |
| US-20100069664-A1 | METHOD FOR PREPARING (E3,Z5)-3,5-ALKADIENYL ACETATE | SHIN-ETSU CHEMICAL CO., LTD. | 2010-03-18 | — | — | US | disclosed |
| US-7638647-B2 | Method for preparing (E3,Z5)-3,5-alkadienyl acetate | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2009-12-29 | — | — | US | disclosed |
| US-20090143617-A1 | METHOD FOR PREPARING (E3, Z5) -3,5-ALKADIENYL ACETATE | SHIN-ETSU CHEMICAL CO. LTD. | 2009-06-04 | — | — | US | disclosed |