Dodecanoate

Dodecanoate

SCHEMBL5153789

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

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 7/20 0.62
CA1 P00915 1/20 0.60
CES2 O00748 4/20 0.56
CES1 P23141 4/20 0.56
BBOX1 O75936 2/20 0.50
NFKB1 P19838 1/20 0.50

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
Myristic Acid SCHEMBL5153714 1.00 FABP3 (0.62) FABP3CA1CES2CES1BBOX1
Stearic Acid SCHEMBL867328 1.00 FABP3 (0.62) FABP3CA1CES2CES1BBOX1
Behenic Acid SCHEMBL5679682 1.00 FABP3 (0.62) FABP3CA1CES2CES1BBOX1
Decanoic Acid SCHEMBL5571660 1.00 FABP3 (0.62) FABP3CA1CES2CES1BBOX1
Nonanoate SCHEMBL5875028 1.00 FABP3 (0.62) FABP3CA1CES2CES1BBOX1
Palmitic Acid SCHEMBL5153293 1.00 FABP3 (0.62) FABP3CA1CES2CES1BBOX1
Octanoic Acid SCHEMBL5574283 1.00 FABP3 (0.62) FABP3CA1CES2CES1BBOX1
Heptanoate SCHEMBL5874922 1.00 FABP3 (0.62) FABP3CA1CES2CES1BBOX1
Tetrylammonium SCHEMBL5571730 0.98 CA1 (0.62) FABP3CA1CES2CES1BBOX1
Azelaic Acid SCHEMBL8778169 0.93 BBOX1 (0.56) FABP3CA1BBOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 disclosed
US-20210371454-A1 Solutions of Quaternary and Tertiary Ammonium Cation Detergents to Denature Proteins, and Kits for Making Them AGILENT TECHNOLOGIES, INC. (US) 2021-12-02 US disclosed
US-11111268-B2 Use of quaternary and tertiary ammonium cations to denature proteins AGILENT TECHNOLOGIES, INC. (US) 2021-09-07 US disclosed
EP-3500097-A1 USE OF QUATERNARY AND TERTIARY AMMONIUM CATION DETERGENTS TO DENATURE PROTEINS Prozyme, Inc. (US) 2019-06-26 EP disclosed
US-20190169230-A1 Use of Quaternary and Tertiary Ammonium Cations to Denature Proteins PROZYME, INC. (US) 2019-06-06 US disclosed
WO-2018035386-A1 USE OF QUATERNARY AND TERTIARY AMMONIUM CATION DETERGENTS TO DENATURE PROTEINS PROZYME, INC. (US) 2018-02-22 WO disclosed
EP-1862329-A1 Ink jet recording material and method of producing ink jet recording material OJI PAPER CO., LTD. (JP) 2007-12-05 EP disclosed
US-20070003716-A1 Composite fine particles, dispersion, method of producing dispersion, ink jet recording material, and method of producing ink jet recording material OJI PAPER CO., LTD. (JP) 2007-01-04 US disclosed
EP-1739136-A1 Composite fine particles and ink jet recording material containing these particles. OJI PAPER CO., LTD. (JP) 2007-01-03 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 (4 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
US-20210371454-A1 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.