⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL28033697 | 0.94 | TSHR (0.33) | — | |
| Isopropyl Alcohol SCHEMBL9624545 | 0.88 | MAPK1 (0.40) | — | |
| SCHEMBL5708413 | 0.82 | — | — | |
| SCHEMBL3837098 | 0.82 | — | — | |
| SCHEMBL11296882 | 0.82 | — | — | |
| SCHEMBL6177314 | 0.81 | TSHR (0.40) | — | |
| SCHEMBL1114762 | 0.80 | MMP8 (0.34) | — | |
| Ammonia Solution, Strong SCHEMBL27990721 | 0.80 | CYP2D6 (0.32) | — | |
| SCHEMBL14523519 | 0.79 | TSHR (0.38) | — | |
| SCHEMBL3825740 | 0.78 | CYP4F2 (0.31) | — |
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 13 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 |
| CN-112867703-A | Ethers and esters of tertiary alkanols as fragrance chemicals | 巴斯夫欧洲公司 | 2021-05-28 | — | — | CN | 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-12291690-B2 | Ethers and esters of tertiary alkanols for use as aroma chemicals | BASF SE (DE) | 2025-05-06 | — | — | US | disclosed |
| US-20210388288-A1 | ETHERS AND ESTERS OF TERTIARY ALKANOLS FOR USE AS AROMA CHEMICALS | BASF SE (DE) | 2021-12-16 | — | — | US | disclosed |
| WO-2021127337-A1 | TRPML MODULATORS | CASMA THERAPEUTICS, INC. (US) | 2021-06-24 | — | — | WO | 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 |
| US-20180044459-A1 | NON-IONIC ARYL KETONE BASED POLYMERIC PHOTO-ACID GENERATORS | CENTRAL GLASS CO., LTD. (JP) | 2018-02-15 | — | — | US | disclosed |
| WO-2010015656-A2 | NEW ALKOXYPYRAZOLES | INSTITUT PASTEUR (FR) | 2010-02-11 | — | — | WO | disclosed |
| US-5001255-A | Idene analogs of mevalonolactone and derivatives thereof | SANDOZ PHARM. CORP. (US) | 1991-03-19 | — | — | US | disclosed |