Octanedioate

Octanedioate

SCHEMBL612287

O=C([O-])CCCCCCC(=O)[O-].[H+].[H+]

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.55
FABP3 P05413 9/20 0.52
FFAR3 O14843 2/20 0.47
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
PMP22 Q01453 1/20 0.44

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
Sebacic Acid SCHEMBL1239805 1.00 CA1 (0.55) CA1FABP3FFAR3HDAC3HDAC1
Octanedioate SCHEMBL11440379 0.97 CA1 (0.52) CA1FABP3FFAR3HDAC3HDAC1
Adipic Acid SCHEMBL613527 0.96 CA1 (0.58) CA1FABP3FFAR3HDAC3HDAC1
Octanedioate SCHEMBL160025 0.93 CA1 (0.55) CA1FABP3FFAR3HDAC3HDAC1
SCHEMBL11046980 0.93 CA1 (0.63) CA1FABP3FFAR3HDAC3HDAC1
Sebacic Acid SCHEMBL3936260 0.93 CA1 (0.55) CA1FABP3FFAR3HDAC3HDAC1
Azelaic Acid SCHEMBL3975767 0.93 CA1 (0.55) CA1FABP3FFAR3HDAC3HDAC1
Octanedioate SCHEMBL125143 0.93 CA1 (0.55) CA1FABP3FFAR3HDAC3HDAC1
Adipic Acid SCHEMBL105755 0.93 CA1 (0.63) CA1FABP3FFAR3HDAC3HDAC1
Sebacic Acid SCHEMBL6562957 0.93 CA1 (0.55) CA1FABP3FFAR3HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11725006-B2 Hydrophilic berberine-type derivative and application thereof in preparing drug INSTITUTE OF MATERIA MEDIC, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2023-08-15 US claimed
CN-110372688-B 8-dihalomethylene dihydroberberine type compound and anti-infection and anti-inflammatory application thereof 中国医学科学院药物研究所 2021-08-13 CN claimed
EP-4221503-B1 FUNGICIDAL COMPOSITIONS COMPRISING TRIALKYL SULFONIUM SALTS HELM AG (DE) 2025-08-20 EP disclosed
US-20240208900-A1 SYNTHESIS OF DIMETHYL-C17-32-ALKYL SULFONIUM SALTS HELM AG (DE) 2024-06-27 US disclosed
EP-4323337-A1 SYNTHESIS OF DIMETHYL-C17-32-ALKYL SULFONIUM SALTS Helm AG (DE) 2024-02-21 EP disclosed
US-20240032533-A1 TRIALKYL SULFONIUM SALTS HELM AG (DE) 2024-02-01 US disclosed
CN-117242054-A dimethyl-C 17-32 Synthesis of alkyl sulfonium salts 汉姆股份公司 2023-12-15 CN disclosed
CN-115340538-B 8-phenyliminomethyl berberine derivative and application thereof in preparation of medicines 中国医学科学院药物研究所 2023-10-20 CN disclosed
US-11725006-B2 Hydrophilic berberine-type derivative and application thereof in preparing drug INSTITUTE OF MATERIA MEDIC, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2023-08-15 US disclosed
EP-4221503-A1 TRIALKYL SULFONIUM SALTS Helm AG (DE) 2023-08-09 EP disclosed
WO-2022218721-A1 SYNTHESIS OF DIMETHYL-C17-32-ALKYL SULFONIUM SALTS HELM AG (DE) 2022-10-20 WO disclosed
EP-2559424-A1 Cooling composition comprising trimethyl isopropyl butanamide Kraft Foods Global Brands LLC (US) 2013-02-20 EP disclosed
WO-2012024469-A1 MOUTH-MOISTENING GUM COMPOSITIONS AND PRODUCTS CONTAINING THE SAME KRAFT FOODS GLOBAL BRANDS LLC (US) 2012-02-23 WO disclosed
US-20120040057-A1 CONFECTIONERIES PROVIDING MOUTH-MOISTENING REFRESHMENT INTERCONTINENTAL GREAT BRANDS LLC 2012-02-16 US disclosed
EP-1493336-B1 Monomenthyl ester derivatives of dicarboxylic acids, processes for preparing same, and uses thereof for their cooling/refreshing effect in consumable materials INT FLAVORS & FRAGRANCES INC (US) 2009-02-25 EP disclosed
US-20070221236-A1 Cooling compositions including menthyl esters CADBURY ADAMS USA LLC. 2007-09-27 US disclosed
US-20070077331-A1 Cooling compositions CADBURY ADAMS USA LLC. 2007-04-05 US disclosed
US-6884906-B2 Menthyl half acid ester derivatives, processes for preparing same, and uses thereof for their cooling/refreshing effect in consumable materials INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2005-04-26 US disclosed
US-20050004214-A1 MENTHYL HALF ACID ESTER DIRIVATIVES, PROCESSES FOR PREPARING SAME, AND USES THEREOF FOR THEIR COOLING/REFRESHING EFFECT IN CONSUMABLE MATERIALS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2005-01-06 US disclosed
EP-1493336-A2 Monomenthyl ester derivatives of dicarboxylic acids, processes for preparing same, and uses thereof for their cooling/refreshing effect in consumable materials INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2005-01-05 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-20240032533-A1 TRIALKYL SULFONIUM SALTS STS, STK39, TST CA1 2201/4885FABP3 2864/4885FFAR3 2727/4885
US-20240208900-A1 SYNTHESIS OF DIMETHYL-C17-32-ALKYL SULFONIUM SALTS STS, MRPS34, MRPS22 CA1 1242/4885FABP3 4041/4885FFAR3 1040/4885
US-20050004214-A1 MENTHYL HALF ACID ESTER DIRIVATIVES, PROCESSES FOR PREPARING SAME, AND USES THEREOF FOR THEIR COOLING/REFRESHING EFFECT IN CONSUMABLE MATERIALS TAS2R41, TAS2R1, TAS1R3 CA1 1405/4885FABP3 4148/4885FFAR3 166/4885
US-11725006-B2 Hydrophilic berberine-type derivative and application thereof in preparing drug SLC7A1, ABCB11, ABCC1 CA1 2869/4885FABP3 3050/4885FFAR3 1665/4885

“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.