Tert-Butanol

Tert-Butanol

SCHEMBL788666

CC(C)(C)O.CC(C)(C)O

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
THRB P10828 1/20 0.46
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.36
CYP2C19 P33261 1/20 0.33
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 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
Tert-Butanol SCHEMBL282 1.00
Tert-Butanol SCHEMBL3628777 1.00
Tert-Butanol SCHEMBL20503401 1.00 ALDH1A1 (0.46) ALDH1A1THRBTSHRLMNACYP2C19
Tert-Butanol SCHEMBL10864527 0.93 ALDH1A1 (0.42) ALDH1A1THRBTSHRLMNACYP2C19
Tert-Butanol SCHEMBL21268474 0.93
Tert-Butanol SCHEMBL25297067 0.93 ALDH1A1 (0.42) ALDH1A1THRBTSHRLMNACYP2C19
Tert-Butanol SCHEMBL183182 0.93
Tert-Butanol SCHEMBL1794621 0.93
Tert-Butanol SCHEMBL8915084 0.93 ALDH1A1 (0.42) ALDH1A1THRBTSHRLMNACYP2C19
Tert-Butanol SCHEMBL16552604 0.93

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115897-A1 Aryl (Ethanoic) Propanoic Acid Ascorbyl Ester, Preparation Method Thereof And Medicament Containing The Same WUXI HONGRUI BIO-PHARMA-TECH CO., LTD . (CN) 2012-05-10 US claimed
CN-114705777-A Exhaled gas VOC marker and detection system for distinguishing gastric cancer patient from healthy individual 立本医疗器械(成都)有限公司 2022-07-05 CN disclosed
CN-114660203-A Expired air VOC marker and detection system for distinguishing gastric cancer patients and gastritis patients 立本医疗器械(成都)有限公司 2022-06-24 CN disclosed
EP-2666458-B1 PRE-MIX FOR A NON-LATHERING PERSONAL CARE ARTICLE, THE ARTICLE HAVING THE FORM OF A SOLID FOAM PROCTER & GAMBLE (US) 2021-09-29 EP disclosed
CN-112441958-A Method for oxidizing tertiary butanol 中国石油化工股份有限公司 2021-03-05 CN disclosed
EP-2666457-B1 Process for forming a non-lathering personal care article in the form of a dissolvable solid foam PROCTER & GAMBLE (US) 2020-06-17 EP disclosed
CN-108290879-A Heteroaryl compound and application thereof as IRAK inhibitor 默克专利有限公司 2018-07-17 CN disclosed
EP-1189581-B2 TOPICAL ANTI-MICROBIAL COMPOSITIONS PROCTER & GAMBLE (US) 2017-09-27 EP disclosed
EP-2262470-B1 NON-LATHERING PERSONAL CARE COMPOSITION IN THE FORM OF AN ARTICLE PROCTER & GAMBLE (US) 2017-07-05 EP disclosed
CN-104693198-B 3 (1,2,4 triazoles simultaneously [4,3 a] 3 base of pyridine) 4 (3 base of 1H indoles) maleimide analog derivative and its preparation method and application 浙江工业大学 2017-03-08 CN disclosed
US-5565193-A A BLENDS OF ADDITION-CONDENSATION GRAFT COPOLYMERS FOR HAIR SETTING SPRAY PROCTER & GAMBLE (US) 1996-10-15 US disclosed
EP-0714285-A1 TOPICAL PERSONAL CARE COMPOSITION CONTAINING POLYSILOXANE-GRAFTED ADHESIVE POLYMER AND DRYING AID THE PROCTER & GAMBLE COMPANY (US) 1996-06-05 EP disclosed
EP-0712309-A1 HAIR STYLING COMPOSITIONS CONTAINING A SILICONE GRAFTED POLYMER AND LOW LEVEL OF A VOLATILE HYDROCARBON SOLVENT THE PROCTER & GAMBLE COMPANY (US) 1996-05-22 EP disclosed
WO-1995005800-A2 TOPICAL PERSONAL CARE COMPOSITION CONTAINING POLYSILOXANE-GRAFTED ADHESIVE POLYMER AND DRYING AID THE PROCTER & GAMBLE COMPANY (US) 1995-03-02 WO disclosed
EP-0640105-A1 ADHESIVE AGENT CONTAINING POLYSILOXANE-GRAFTED POLYMER, AND COSMETIC COMPOSITIONS THEREOF THE PROCTER & GAMBLE COMPANY (US) 1995-03-01 EP disclosed
WO-1995004518-A1 HAIR STYLING COMPOSITIONS CONTAINING A SILICONE GRAFTED POLYMER AND LOW LEVEL OF A VOLATILE HYDROCARBON SOLVENT THE PROCTER & GAMBLE COMPANY (US) 1995-02-16 WO disclosed
EP-0412707-B1 Hair conditioning and styling compositions PROCTER & GAMBLE (US) 1994-02-09 EP disclosed
WO-1993023446-A2 ADHESIVE AGENT CONTAINING POLYSILOXANE-GRAFTED POLYMER, AND COSMETIC COMPOSITIONS THEREOF THE PROCTER & GAMBLE COMPANY (US) 1993-11-25 WO disclosed
EP-0412704-A2 Hair conditioning and styling compositions THE PROCTER & GAMBLE COMPANY (US) 1991-02-13 EP disclosed
EP-0412707-A1 Hair conditioning and styling compositions THE PROCTER & GAMBLE COMPANY (US) 1991-02-13 EP 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-20120115897-A1 Aryl (Ethanoic) Propanoic Acid Ascorbyl Ester, Preparation Method Thereof And Medicament Containing The Same HTRA2, CYP27A1, ALOX15 ALDH1A1 311/4885THRB 4624/4885TSHR 4432/4885

“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.