Hexanoate

Hexanoate

SCHEMBL2762274

CCCCCC(=O)[O-].C[N+](C)(C)CCO

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3GNRHRMPLPDE3APDE3BPDE4APDE4BPDE4CPDE4DPPARASLC5A2

The experimentally established mechanism targets of Hexanoate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.54
FABP3 P05413 7/20 0.52
BBOX1 O75936 2/20 0.50
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
NFKB1 P19838 1/20 0.46

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 SCHEMBL580470 0.98 FABP3 (0.55) CA1FABP3BBOX1CES2CES1
Stearic Acid SCHEMBL840883 0.98 FABP3 (0.55) CA1FABP3BBOX1CES2CES1
Dodecanoate SCHEMBL19253062 0.98 FABP3 (0.55) CA1FABP3BBOX1CES2CES1
Palmitic Acid SCHEMBL10396224 0.98 FABP3 (0.55) CA1FABP3BBOX1CES2CES1
Octanoic Acid SCHEMBL2761867 0.98 FABP3 (0.55) CA1FABP3BBOX1CES2CES1
Myristic Acid SCHEMBL8588822 0.98 FABP3 (0.55) CA1FABP3BBOX1CES2CES1
Nonanoate SCHEMBL29370695 0.98 FABP3 (0.55) CA1FABP3BBOX1CES2CES1
Decanoic Acid SCHEMBL5318916 0.96 FABP3 (0.53) CA1FABP3BBOX1CES2CES1
Myristic Acid SCHEMBL5317287 0.96 FABP3 (0.53) CA1FABP3BBOX1CES2CES1
Dodecanoate SCHEMBL5320074 0.96 FABP3 (0.53) CA1FABP3BBOX1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118058284-A Fatty acid choline salt soluble solution and preparation method and application thereof 郑州郑氏化工产品有限公司 2024-05-24 CN claimed
US-10143969-B2 Compounds for the capture of carbon dioxide from gaseous mixtures and subsequent release, related process and plant UNIVERSITA DEGLI STUDI DI MILANO-BICOCCA (IT) 2018-12-04 US claimed
US-20160346734-A1 NOVEL COMPOUNDS FOR THE CAPTURE OF CARBON DIOXIDE FROM GASEOUS MIXTURES AND SUBSEQUENT RELEASE, RELATED PROCESS AND PLANT UNIVERSITA DEGLI STUDI DI MILANO-BICOCCA (IT) 2016-12-01 US claimed
EP-3094399-A2 NOVEL COMPOUNDS FOR THE CAPTURE OF CARBON DIOXIDE FROM GASEOUS MIXTURES AND SUBSEQUENT RELEASE, RELATED PROCESS AND PLANT Università Degli Studi Di Milano - Bicocca (IT) 2016-11-23 EP claimed
WO-2010136105-A2 AMMONIUMCARBOXYLATES MERCK PATENT GMBH (DE) 2010-12-02 WO claimed
US-12440438-B2 Method of remotely controlling pain Novilla Pharmaceuticals, Inc. (US) 2025-10-14 US disclosed
EP-3503927-B1 TOPICAL FORMULATIONS BASED ON IONIC SPECIES FOR SKIN TREATMENT UNIV CALIFORNIA (US) 2025-02-19 EP disclosed
CN-118058284-A Fatty acid choline salt soluble solution and preparation method and application thereof 郑州郑氏化工产品有限公司 2024-05-24 CN disclosed
US-20240156964-A1 IONIC LIQUIDS FOR TRANSDERMAL DRUG DELIVERY THE ARIZONA BOARD OF REGENTS 2024-05-16 US disclosed
US-11786597-B2 Ionic liquids for transdermal drug delivery THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-10-17 US disclosed
US-20230310528-A1 DEEP EUTECTIC SOLVENT INCLUDING ONE OR MORE ACTIVE PHARMACEUTICAL INGREDIENTS DERIVED FROM MUSHROOMS OPTIMI HEALTH CORP (CA) 2023-10-05 US disclosed
US-20230093875-A1 IONIC LIQUIDS FOR INTERNAL DELIVERY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-03-30 US disclosed
EP-3094399-A2 NOVEL COMPOUNDS FOR THE CAPTURE OF CARBON DIOXIDE FROM GASEOUS MIXTURES AND SUBSEQUENT RELEASE, RELATED PROCESS AND PLANT Università Degli Studi Di Milano - Bicocca (IT) 2016-11-23 EP disclosed
US-20160263225-A1 IONIC LIQUIDS FOR TRANSDERMAL DRUG DELIVERY THE ARIZONA BOARD OF REGENTS 2016-09-15 US disclosed
EP-3062819-A2 IONIC LIQUIDS FOR TRANSDERMAL DRUG DELIVERY The Regents of The University of California (US) 2016-09-07 EP disclosed
WO-2015107416-A3 NOVEL COMPOUNDS FOR THE CAPTURE OF CARBON DIOXIDE FROM GASEOUS MIXTURES AND SUBSEQUENT RELEASE, RELATED PROCESS AND PLANT UNIVERSITA DEGLI STUDI DI MILANO-BICOCCA (IT) 2015-12-10 WO disclosed
WO-2015066647-A9 IONIC LIQUIDS FOR TRANSDERMAL DRUG DELIVERY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-09-17 WO disclosed
WO-2015066647-A2 IONIC LIQUIDS FOR TRANSDERMAL DRUG DELIVERY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-05-07 WO disclosed
WO-2010136105-A2 AMMONIUMCARBOXYLATES MERCK PATENT GMBH (DE) 2010-12-02 WO disclosed
US-4927728-A Carrier particles for use in a two-component dry-type developer RICOH COMPANY, LTD. (JP) 1990-05-22 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-10143969-B2 Compounds for the capture of carbon dioxide from gaseous mixtures and subsequent release, related process and plant GK, AGXT, GHDC CA1 34/4885FABP3 294/4885BBOX1 1485/4885
US-20230093875-A1 IONIC LIQUIDS FOR INTERNAL DELIVERY PNLIP, LIPA, CEL CA1 2040/4885FABP3 111/4885BBOX1 4575/4885
US-20160346734-A1 NOVEL COMPOUNDS FOR THE CAPTURE OF CARBON DIOXIDE FROM GASEOUS MIXTURES AND SUBSEQUENT RELEASE, RELATED PROCESS AND PLANT GK, AGXT, GHDC CA1 51/4885FABP3 263/4885BBOX1 1315/4885

“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.