⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7540668 | 1.00 | — | — | |
| SCHEMBL14073829 | 0.82 | — | — | |
| SCHEMBL214445 | 0.75 | — | — | |
| SCHEMBL29414134 | 0.75 | TSHR (0.30) | — | |
| SCHEMBL113135 | 0.75 | TSHR (0.30) | — | |
| SCHEMBL29414145 | 0.75 | TSHR (0.30) | — | |
| SCHEMBL113134 | 0.75 | TSHR (0.30) | — | |
| SCHEMBL17336818 | 0.75 | TSHR (0.30) | — | |
| SCHEMBL21241230 | 0.73 | — | — | |
| SCHEMBL22952858 | 0.70 | — | — |
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-0672746-B1 | Oxime ethers and perfume and flavouring compositions containing them | GIVAUDAN SA (CH) | 2002-05-29 | — | — | EP | claimed |
| EP-0672746-A1 | Oxime ethers and perfume and flavouring compositions containing them | GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) | 1995-09-20 | — | — | EP | claimed |
| EP-0672746-A1 | Oxime ethers and perfume and flavouring compositions containing them | GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) | 1995-09-20 | — | — | EP | disclosed |