Tert-Butanol

Tert-Butanol

SCHEMBL4334103

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

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.73
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
THRB P10828 1/20 0.31
DGAT1 O75907 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
Methyl Alcohol SCHEMBL1151710 0.86
SCHEMBL503396 0.85
SCHEMBL8679785 0.85 ALDH1A1 (1.00) ALDH1A1TSHRTDP1
SCHEMBL6223 0.85
Methyl Alcohol SCHEMBL15124588 0.82
SCHEMBL3662439 0.80
Water SCHEMBL10335432 0.80
Hydrochloric Acid SCHEMBL3840624 0.80
SCHEMBL3664027 0.80
SCHEMBL3366971 0.80

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7611880-B2 Enzymatic ammonolysis process for the preparation of intermediates for DPP IV inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-03 US claimed
US-20070207527-A1 ENZYMATIC AMMONOLYSIS PROCESS FOR THE PREPARATION OF INTERMEDIATES FOR DPP IV INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US claimed
US-7223573-B2 Enzymatic ammonolysis process for the preparation of intermediates for DPP IV inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-29 US claimed
US-20050256019-A1 Enzymatic ammonolysis process for the preparation of intermediates for DPP IV inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-11-17 US claimed
CN-112067727-B Gas chromatography for directly measuring seven trace amount haloacetic acids in canned tea beverage 丁立平 2022-05-24 CN disclosed
CN-112067727-A Gas chromatography for directly measuring seven trace amount haloacetic acids in canned tea beverage 丁立平 2020-12-11 CN disclosed
CN-103076416-B Method for enriching clenbuterol, ractopamine and salbutamol in urine sample of breeding livestock UNIV NANCHANG 2014-08-06 CN disclosed
CN-103076416-A Method for enriching clenbuterol, ractopamine and salbutamol in urine sample of breeding livestock UNIV NANCHANG 2013-05-01 CN disclosed
US-20060019997-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-26 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-20060019997-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRIN3A, GRM1 ALDH1A1 3228/4885TSHR 377/4885TDP1 3731/4885

“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.