Hexanoate

Hexanoate

SCHEMBL105666

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

nearest known ligand 0.81

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.68
FABP3 P05413 7/20 0.63
CES2 O00748 4/20 0.59
CES1 P23141 4/20 0.59
BBOX1 O75936 2/20 0.56
NFKB1 P19838 1/20 0.55

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
Nonanoate SCHEMBL106670 0.98 FABP3 (0.67) CA1FABP3CES2CES1BBOX1
Heptanoate SCHEMBL108336 0.98 FABP3 (0.67) CA1FABP3CES2CES1BBOX1
Decanoic Acid SCHEMBL107062 0.98 FABP3 (0.67) CA1FABP3CES2CES1BBOX1
Heptadecanoic Acid SCHEMBL7549840 0.98 FABP3 (0.67) CA1FABP3CES2CES1BBOX1
Dodecanoate SCHEMBL5153809 0.98 FABP3 (0.67) CA1FABP3CES2CES1BBOX1
Octanoic Acid SCHEMBL108744 0.98 FABP3 (0.67) CA1FABP3CES2CES1BBOX1
Palmitic Acid SCHEMBL5155811 0.98 FABP3 (0.67) CA1FABP3CES2CES1BBOX1
Stearic Acid SCHEMBL109193 0.98 FABP3 (0.67) CA1FABP3CES2CES1BBOX1
Myristic Acid SCHEMBL5154017 0.98 FABP3 (0.67) CA1FABP3CES2CES1BBOX1
Octanoic Acid SCHEMBL28057625 0.95 FABP3 (0.64) CA1FABP3CES2CES1BBOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4089128-A1 POLYISOCYANATE COMPOSITION AND CURED FILM Asahi Kasei Kabushiki Kaisha (JP) 2022-11-16 EP disclosed
CN-110183390-B Preparation method of bio-based pentamethylene diisocyanate trimer 中海油常州涂料化工研究院有限公司 2021-01-19 CN disclosed
EP-3144332-B1 NEW TRIMER CATALYST ADDITIVES FOR IMPROVING FOAM PROCESSABILITY EVONIK OPERATIONS GMBH (DE) 2020-10-21 EP disclosed
EP-2426558-B1 Silicon-containing film-forming composition, silicon-containing film-formed substrate, and patterning process SHINETSU CHEMICAL CO (JP) 2018-10-24 EP disclosed
US-9878318-B2 Trimer catalyst additives for improving foam processability EVONIK DEGUSSA GMBH (DE) 2018-01-30 US disclosed
EP-2500775-B1 PATTERNING PROCESS AND COMPOSITION FOR FORMING SILICON-CONTAINING FILM USABLE THEREFOR SHINETSU CHEMICAL CO (JP) 2018-01-03 EP disclosed
EP-3144332-A1 NEW TRIMER CATALYST ADDITIVES FOR IMPROVING FOAM PROCESSABILITY AIR PRODUCTS AND CHEMICALS, INC. (US) 2017-03-22 EP disclosed
EP-1852450-B1 New trimer catalyst additives for improving foam processability AIR PROD & CHEM (US) 2016-12-14 EP disclosed
CN-106061733-A Coated film 三菱树脂株式会社 2016-10-26 CN disclosed
US-8951711-B2 Patterning process and composition for forming silicon-containing film usable therefor SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-02-10 US disclosed
EP-1852450-A2 New trimer catalyst additives for improving foam processability Air Products and Chemicals, Inc. (US) 2007-11-07 EP disclosed
EP-1845132-A2 Silicon-containing film-forming composition, silicon-containing film, silicon-containing film-bearing substrate, and patterning method Shinetsu Chemical Co., Ltd. (JP) 2007-10-17 EP disclosed
US-20070238300-A1 Silicon-containing film-forming composition, silicon-containing film, silicon-containing film-bearing substrate, and patterning method SHIN-ETSU CHEMICAL CO., LTD. 2007-10-11 US disclosed
US-20070135565-A1 COMPOSITION FOR FORMING POROUS FILM, POROUS FILM AND METHOD FOR FORMING THE SAME, INTERLEVEL INSULATOR FILM, AND SEMICONDUCTOR DEVICE MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2007-06-14 US disclosed
US-7132473-B2 Composition for forming porous film, porous film and method for forming the same, interlevel insulator film, and semiconductor device MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2006-11-07 US disclosed
US-7128976-B2 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2006-10-31 US disclosed
EP-1568744-A1 COMPOSITION FOR POROUS FILM FORMATION, POROUS FILM, PROCESS FOR PRODUCING THE SAME, INTERLAYER INSULATION FILM AND SEMICONDUCTOR DEVICE MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2005-08-31 EP disclosed
US-20040219372-A1 Composition for forming porous film, porous film and method for forming the same, interlevel insulator film, and semiconductor device MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. 2004-11-04 US disclosed
US-20030091838-A1 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2003-05-15 US disclosed
US-4762630-A ALKYLAMMONIUM SALT OF ALIPHATIC, SATURATED MONOCARBOXYLIC ACID NIPPON CHEMI-CON CORPORATION (JP) 1988-08-09 US disclosed