Tert-Butanol

Tert-Butanol

SCHEMBL671232

CC(C)(C)O.CCOCC

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
TSHR P16473 4/20 0.33
TDP1 Q9NUW8 2/20 0.31

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
Ether SCHEMBL27872122 0.92 ALDH1A1 (0.42) ALDH1A1TSHRTDP1
Ether SCHEMBL11500275 0.89 ALDH1A1 (0.40) ALDH1A1TSHR
Ether SCHEMBL11365514 0.88 ALDH1A1 (0.44) ALDH1A1TSHR
Tert-Butanol SCHEMBL27549821 0.86 ALDH1A1 (0.53) ALDH1A1TSHR
Amylene Hydrate SCHEMBL27926869 0.83 ALDH1A1 (0.37) ALDH1A1TSHRTDP1
Ether SCHEMBL28205774 0.81 ALDH1A1 (0.41) ALDH1A1
Ether SCHEMBL7435965 0.79 ALDH1A1 (0.50) ALDH1A1TSHR
Ether SCHEMBL135123 0.79
Ether SCHEMBL1766202 0.79
Ether SCHEMBL8349382 0.79 ALDH1A1 (0.50) ALDH1A1TSHR

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113750281-A Exhaust gas deodorization method based on plant deodorant atomization technology 真味生物(深圳)集团有限公司 2021-12-07 CN claimed
CN-109212053-A The gas chromatography of underwater trace glufosinate-ammonium, glyphosate and AminomethylphosphoniAcid Acid is drunk in a kind of measurement 丁立平 2019-01-15 CN claimed
CN-108358753-A A kind of preparation of three tertiary butyoxies aluminium lithium and detection method 庄英俊 2018-08-03 CN claimed
CN-113788940-A Preparation method of polytetrahydrofuran polypropylene oxide block copolyether 中国石油化工股份有限公司 2021-12-14 CN disclosed
CN-113750281-A Exhaust gas deodorization method based on plant deodorant atomization technology 真味生物(深圳)集团有限公司 2021-12-07 CN disclosed
EP-3843844-A1 COMPOUNDS UCL Business Ltd (GB) 2021-07-07 EP disclosed
CN-109212053-B Gas chromatography for determining trace glufosinate, glyphosate and aminomethylphosphonic acid in drinking water 丁立平 2021-05-14 CN disclosed
WO-2020233700-A1 HABI PHOTOINITIATOR CAPABLE OF IMPROVING SYSTEM STABILITY AND APPLICATION THEREOF 常州格林感光新材料有限公司 (CN) 2020-11-26 WO disclosed
WO-2020200020-A1 HEXAARYLBIIMIDAZOLE PHOTOINITIATOR AND APPLICATION THEREOF 常州格林感光新材料有限公司 2020-10-08 WO disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 WO disclosed
CN-106967094-B The manufacturing method of hydrazine compound, the manufacturing method of optically anisotropic body and polymerizable compound 日本瑞翁株式会社 2019-11-15 CN disclosed
EP-0874800-B1 INDANE DIMER COMPOUNDS WITH SMOOTH MUSCLE RELAXING AND/OR MAST CELL STABILISING AND/OR ANTIINFLAMMATORY ACTIVITY VENANTIUS LTD (IE) 2003-08-06 EP disclosed
US-6423752-B1 SUCH AS 3-(N-1-INDANYLAMINO)-INDAN-1-ONE 3-(N-1-INDANYLAMINO) INDAN-1-ONE FORMED BY REACTING AMINO-INDANE COMPOUND WITH BROMO-INDANONE COMPOUND IN PRESENCE OF TRIETHYLENEAMINE VENANTIUS LIMITED (IE) 2002-07-23 US disclosed
US-20020052530-A1 INDANE DIMER COMPOUNDS WITH SMOOTH MUSCLE RELAXING AND/OR MAST CELL STABILISING AND/OR ANTIINFLAMMATORY ACTIVITY VENANTIUS LIMITED (IE) 2002-05-02 US disclosed
US-6300376-B1 FOR THERAPY TO ACHIEVE SMOOTH MUSCLE RELAXING ACTIVITY AND/OR MAST CELL STABILIZING ACTIVITY AND/OR ANTI-INFLAMMATORY ACTIVITY VENANTIUS LIMITED (IR) 2001-10-09 US disclosed
US-6297399-B1 HYPOTENSIVE AGENTS VENANTIUS LIMITED (IE) 2001-10-02 US disclosed
EP-0874800-A1 INDANE DIMER COMPOUNDS WITH SMOOTH MUSCLE RELAXING AND/OR MAST CELL STABILISING AND/OR ANTIINFLAMMATORY ACTIVITY Venantius Limited (IE) 1998-11-04 EP disclosed
EP-0865419-A1 INDANE DIMER COMPOUNDS AND THEIR PHARMACEUTICAL USE Venantius Limited (IE) 1998-09-23 EP disclosed
WO-1997020806-A1 INDANE COMPOUNDS WITH SMOOTH MUSCLE RELAXING AND/OR MAST CELL STABILISING AND/OR ANTI-INFLAMMATORY ACTIVITY VENANTIUS LIMITED (IE) 1997-06-12 WO disclosed
US-4814425-A ISOPENTENYL COMPOUNDS KURARAY CO., LTD. (JP) 1989-03-21 US 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 (1 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-20020052530-A1 INDANE DIMER COMPOUNDS WITH SMOOTH MUSCLE RELAXING AND/OR MAST CELL STABILISING AND/OR ANTIINFLAMMATORY ACTIVITY MYLK, HRH2, HRH1 ALDH1A1 1764/4885TSHR 1414/4885TDP1 3796/4885

“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.