⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1376644 | 0.82 | — | — | |
| SCHEMBL2696112 | 0.82 | TSHR (0.61) | — | |
| SCHEMBL541637 | 0.82 | TSHR (0.61) | — | |
| SCHEMBL28259685 | 0.82 | LMNA (0.47) | — | |
| SCHEMBL62257 | 0.81 | — | — | |
| SCHEMBL21409909 | 0.79 | TSHR (0.58) | — | |
| SCHEMBL7352144 | 0.79 | TSHR (0.58) | — | |
| SCHEMBL21831585 | 0.79 | TSHR (0.58) | — | |
| SCHEMBL22129601 | 0.79 | TSHR (0.58) | — | |
| SCHEMBL542077 | 0.79 | TSHR (0.58) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4096618-A1 | A MIXTURE COMPRISING 1,2-ALKANEDIOLS | Symrise AG (DE) | 2022-12-07 | — | — | EP | claimed |
| WO-2022122143-A1 | A MIXTURE COMPRISING 1,2-ALKANEDIOLS | SYMRISE AG (DE) | 2022-06-16 | — | — | WO | claimed |
| WO-2006087370-A1 | USE OF AROMA GLYCOSIDES AS FLAVOR OR FRAGRANCE INGREDIENT | POALIS A/S (DK) | 2006-08-24 | — | — | WO | claimed |
| WO-2006087370-A1 | USE OF AROMA GLYCOSIDES AS FLAVOR OR FRAGRANCE INGREDIENT | POALIS A/S (DK) | 2006-08-24 | — | — | WO | disclosed |