⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25183552 | 1.00 | — | — | |
| SCHEMBL9898590 | 0.80 | — | — | |
| SCHEMBL9898592 | 0.80 | — | — | |
| SCHEMBL1171558 | 0.75 | CA1 (0.35) | — | |
| SCHEMBL8581341 | 0.66 | ALDH1A1 (0.41) | — | |
| SCHEMBL8651417 | 0.66 | ALDH1A1 (0.41) | — | |
| SCHEMBL2999875 | 0.66 | HSD17B10 (0.30) | — | |
| SCHEMBL22668736 | 0.62 | HSD17B10 (0.30) | — | |
| SCHEMBL215249 | 0.61 | ALDH1A1 (0.34) | — | |
| SCHEMBL28898566 | 0.60 | ALDH1A1 (0.47) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20260047994-A1 | AN ACTIVE COMPOSITION COMPRISING RETINOL | SYMRISE AG (DE) | 2026-02-19 | — | — | US | disclosed |
| WO-2025051340-A1 | TRPM8 MODULATORS AND RELATED METHOD FOR MODULATING TRPM8 RECEPTORS | SYMRISE AG (DE) | 2025-03-13 | — | — | WO | disclosed |
| US-20250011274-A1 | USE OF 1-(4- TERT- BUTYL CYCLOHEXYL) PROPYL ACETATE AS AROMA INGREDIENT | BASF SE (DE) | 2025-01-09 | — | — | US | disclosed |
| EP-4021900-A1 | 2,2,6-TRIMETHYL-4,5-DIHYDRO-3H-OXEPINE AS AROMA INGREDIENT | BASF SE (DE) | 2022-07-06 | — | — | EP | disclosed |
| EP-3986995-A1 | 1-ALKOXYETHYL-4-ISOBUTYL-BENZENE AS AROMA INGREDIENTS | BASF SE (DE) | 2022-04-27 | — | — | EP | disclosed |
| WO-2021122674-A1 | 2,4-DIETHYLOCTA-2,6-DIENAL AND ITS USE AS AROMA CHEMICAL | BASF SE (DE) | 2021-06-24 | — | — | WO | disclosed |
| WO-2021122684-A1 | DODECANDIEN-1-OL AND DODECEN-1-OL OR MIXTURES THEREOF AS AROMA CHEMICALS | BASF SE (DE) | 2021-06-24 | — | — | WO | disclosed |
| WO-2021037806-A1 | 2,2,6-TRIMETHYL-4,5-DIHYDRO-3H-OXEPINE AS AROMA INGREDIENT | BASF SE (DE) | 2021-03-04 | — | — | WO | disclosed |