Dodecanoate

Dodecanoate

SCHEMBL5153809

CCCCCCCCCCCC(=O)[O-].C[N+](C)(C)C

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 7/20 0.67
CA1 P00915 1/20 0.65
CES2 O00748 4/20 0.61
CES1 P23141 4/20 0.61
BBOX1 O75936 2/20 0.54

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
Decanoic Acid SCHEMBL107062 1.00 FABP3 (0.67) FABP3CA1CES2CES1BBOX1
Heptanoate SCHEMBL108336 1.00 FABP3 (0.67) FABP3CA1CES2CES1BBOX1
Stearic Acid SCHEMBL109193 1.00 FABP3 (0.67) FABP3CA1CES2CES1BBOX1
Nonanoate SCHEMBL106670 1.00 FABP3 (0.67) FABP3CA1CES2CES1BBOX1
Heptadecanoic Acid SCHEMBL7549840 1.00 FABP3 (0.67) FABP3CA1CES2CES1BBOX1
Palmitic Acid SCHEMBL5155811 1.00 FABP3 (0.67) FABP3CA1CES2CES1BBOX1
Octanoic Acid SCHEMBL108744 1.00 FABP3 (0.67) FABP3CA1CES2CES1BBOX1
Myristic Acid SCHEMBL5154017 1.00 FABP3 (0.67) FABP3CA1CES2CES1BBOX1
Octanoic Acid SCHEMBL28057625 0.98 FABP3 (0.64) FABP3CA1CES2CES1BBOX1
Hexanoate SCHEMBL105666 0.98 CA1 (0.68) FABP3CA1CES2CES1BBOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109714963-B Use of quaternary ammonium cation and tertiary ammonium cation detergents in protein denaturation 安捷伦科技有限公司 2022-08-09 CN claimed
US-11111268-B2 Use of quaternary and tertiary ammonium cations to denature proteins AGILENT TECHNOLOGIES, INC. (US) 2021-09-07 US claimed
US-20190169230-A1 Use of Quaternary and Tertiary Ammonium Cations to Denature Proteins PROZYME, INC. (US) 2019-06-06 US claimed
CN-109714963-A Use of quaternary ammonium cation and tertiary ammonium cation detergents in protein denaturation 普若泽米有限公司 2019-05-03 CN claimed
US-6997270-B2 Compounds and method for generating a highly efficient membrane in water-based drilling fluids HALLIBURTON ENERGY SERVICES, INC. (US) 2006-02-14 US claimed
US-20040011563-A1 Novel compounds and method for generating a highly efficient membrane in water-based drilling fluids HALLIBURTON ENERGY SERVICES, INC. 2004-01-22 US claimed
EP-1346130-A1 NOVEL COMPOUNDS AND METHOD FOR GENERATING A HIGHLY EFFICIENT MEMBRANE IN WATER-BASED DRILLING FLUIDS Halliburton Energy Services, Inc. (US) 2003-09-24 EP claimed
WO-2002053873-A1 NOVEL COMPOUNDS AND METHOD FOR GENERATING A HIGHLY EFFICIENT MEMBRANE IN WATER-BASED DRILLING FLUIDS HALLIBURTON ENERGY SERVICES, INC. (US) 2002-07-11 WO claimed
EP-0014161-B1 METHOD OF TREATING A MULTIFILAMENT BUNDLE OF PITCH FIBERS AND A SPIN SIZE COMPOSITION THEREFOR UNION CARBIDE CORPORATION (US) 1983-03-30 EP claimed
US-4275051-A Spin size and thermosetting aid for pitch fibers UNION CARBIDE CORPORATION (US) 1981-06-23 US claimed
EP-0014161-A2 Method of treating a multifilament bundle of pitch fibers and a spin size composition therefor UNION CARBIDE CORPORATION (US) 1980-08-06 EP claimed
US-12092644-B2 Kits comprising aldehydes to reduce artifacts in analyzing glycans released from glycoproteins or glycopeptides AGILENT TECHNOLOGIES, INC. (US) 2024-09-17 US disclosed
EP-3500842-B1 USE OF MILD ELECTROPHILES TO REDUCE ARTIFACTS IN ANALYZING GLYCANS RELEASED FROM GLYCOPROTEINS OR GLYCOPEPTIDES AGILENT TECHNOLOGIES INC (US) 2024-04-10 EP disclosed
US-11858961-B2 Solutions of quaternary and tertiary ammonium cation detergents to denature proteins, and kits for making them AGILENT TECHNOLOGIES, INC. (US) 2024-01-02 US disclosed
CN-115448976-A Use of quaternary ammonium cation and tertiary ammonium cation detergents in protein denaturation 安捷伦科技有限公司 2022-12-09 CN disclosed
EP-0190222-A1 CHOPPED CARBON FIBERS AND METHODS FOR PRODUCING THE SAME. UNION CARBIDE CORP (US) 1986-08-13 EP disclosed
WO-1986000941-A1 CHOPPED CARBON FIBERS AND METHODS FOR PRODUCING THE SAME UNION CARBIDE CORPORATION (US) 1986-02-13 WO disclosed
EP-0163339-A2 Carbon fibers and methods for producing the same AMOCO CORPORATION (US) 1985-12-04 EP disclosed
US-4220573-A Novel ionic polymer compositions EXXON RESEARCH & ENGINEERING CO. (US) 1980-09-02 US disclosed
US-4014831-A SULFONATED POLYCARBONS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1977-03-29 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 (3 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-11111268-B2 Use of quaternary and tertiary ammonium cations to denature proteins PDIA3, STOM, PDIA6 FABP3 383/4885CA1 320/4885CES2 2295/4885
US-20190169230-A1 Use of Quaternary and Tertiary Ammonium Cations to Denature Proteins PDIA3, STOM, PDIA6 FABP3 383/4885CA1 320/4885CES2 2295/4885
US-11858961-B2 Solutions of quaternary and tertiary ammonium cation detergents to denature proteins, and kits for making them STOM, PDIA3, PDIA5 FABP3 510/4885CA1 339/4885CES2 1882/4885

“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.