⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21847344 | 0.72 | — | — | |
| SCHEMBL1066832 | 0.70 | — | — | |
| SCHEMBL8582007 | 0.70 | — | — | |
| SCHEMBL21847339 | 0.70 | TSHR (0.33) | — | |
| SCHEMBL1270319 | 0.69 | — | — | |
| SCHEMBL997971 | 0.69 | — | — | |
| SCHEMBL17798998 | 0.67 | — | — | |
| SCHEMBL27705889 | 0.67 | TSHR (0.31) | — | |
| SCHEMBL9496225 | 0.66 | LMNA (0.33) | — | |
| SCHEMBL5699322 | 0.66 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12291690-B2 | Ethers and esters of tertiary alkanols for use as aroma chemicals | BASF SE (DE) | 2025-05-06 | — | — | US | disclosed |
| EP-3867217-B1 | ETHERS AND ESTERS OF TERTIARY ALKANOLS FOR USE AS AROMA CHEMICALS | BASF SE (DE) | 2022-12-07 | — | — | EP | disclosed |
| US-20210388288-A1 | ETHERS AND ESTERS OF TERTIARY ALKANOLS FOR USE AS AROMA CHEMICALS | BASF SE (DE) | 2021-12-16 | — | — | US | disclosed |
| CN-112867703-A | Ethers and esters of tertiary alkanols as fragrance chemicals | 巴斯夫欧洲公司 | 2021-05-28 | — | — | CN | disclosed |
| WO-2020079011-A1 | ETHERS AND ESTERS OF TERTIARY ALKANOLS FOR USE AS AROMA CHEMICALS | BASF SE (DE) | 2020-04-23 | — | — | WO | disclosed |
| EP-3640233-A1 | ETHERS AND ESTERS OF TERTIARY ALKANOLS FOR USE AS AROMA CHEMICALS | BASF SE (DE) | 2020-04-22 | — | — | EP | disclosed |