SCHEMBL21847348

SCHEMBL21847348

CCOC(CC)(CC)CC

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
ALDH1A1 P00352 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
Ammonia Solution, Strong SCHEMBL27888322 0.93
SCHEMBL16481813 0.81
SCHEMBL21858419 0.81
SCHEMBL5831420 0.81
SCHEMBL669682 0.81
Iodide SCHEMBL5574541 0.78
SCHEMBL217249 0.78
SCHEMBL610476 0.76
SCHEMBL28116711 0.73 ALDH1A1 (0.35) TSHRALDH1A1
SCHEMBL18043677 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
CN-1006386-B PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER SHINETSU CHEM IND CO (JP) 1990-01-10 CN disclosed
CN-85107531-A Process for producing vinyl chloride polymer 1987-01-21 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210388288-A1 ETHERS AND ESTERS OF TERTIARY ALKANOLS FOR USE AS AROMA CHEMICALS OR51E2, ETV1, ALK TSHR 3071/4885TDP1 3391/4885ALDH1A1 71/4885
US-12291690-B2 Ethers and esters of tertiary alkanols for use as aroma chemicals OR51E2, ETV1, ALK TSHR 3071/4885TDP1 3391/4885ALDH1A1 71/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.