⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2119285 | 1.00 | — | — | |
| SCHEMBL2119289 | 1.00 | — | — | |
| SCHEMBL4302373 | 0.81 | — | — | |
| SCHEMBL8581303 | 0.81 | — | — | |
| SCHEMBL6474272 | 0.81 | — | — | |
| SCHEMBL17062954 | 0.81 | ALDH1A1 (0.50) | — | |
| SCHEMBL3683481 | 0.81 | — | — | |
| SCHEMBL6473740 | 0.81 | — | — | |
| SCHEMBL17062956 | 0.81 | ALDH1A1 (0.50) | — | |
| SCHEMBL23143217 | 0.76 | ALDH1A1 (0.48) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4214303-A1 | IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS | Givaudan SA (CH) | 2023-07-26 | — | — | EP | claimed |
| EP-1771407-B1 | 4-HEPTEN-2-YL SALICYLATE AND ITS USE AS A FRAGRANCE INGREDIENT | GIVAUDAN SA (CH) | 2014-09-03 | — | — | EP | claimed |