⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14532986 | 0.81 | — | — | |
| SCHEMBL892061 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL20957479 | 0.77 | — | — | |
| SCHEMBL20957478 | 0.77 | — | — | |
| SCHEMBL21858431 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL11892227 | 0.76 | — | — | |
| SCHEMBL8579868 | 0.74 | — | — | |
| SCHEMBL15302345 | 0.74 | — | — | |
| SCHEMBL29242155 | 0.74 | — | — | |
| SCHEMBL997971 | 0.72 | — | — |
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-20210388288-A1 | ETHERS AND ESTERS OF TERTIARY ALKANOLS FOR USE AS AROMA CHEMICALS | BASF SE (DE) | 2021-12-16 | — | — | US | claimed |
| WO-2020079011-A1 | ETHERS AND ESTERS OF TERTIARY ALKANOLS FOR USE AS AROMA CHEMICALS | BASF SE (DE) | 2020-04-23 | — | — | WO | claimed |
| EP-3640233-A1 | ETHERS AND ESTERS OF TERTIARY ALKANOLS FOR USE AS AROMA CHEMICALS | BASF SE (DE) | 2020-04-22 | — | — | EP | claimed |
| US-20210388288-A1 | ETHERS AND ESTERS OF TERTIARY ALKANOLS FOR USE AS AROMA CHEMICALS | BASF SE (DE) | 2021-12-16 | — | — | US | 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 |