Hexanoate

Hexanoate

SCHEMBL5015262

CCCCCC(=O)O.CCOC(C)=O

nearest known ligand 0.67

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.67
GPR84 Q9NQS5 7/20 0.64
PPARG P37231 7/20 0.64
PPARD Q03181 7/20 0.64
PPARA Q07869 7/20 0.64
HDAC11 Q96DB2 5/20 0.64
TSHR P16473 4/20 0.64
PTPN1 P18031 3/20 0.64
ALDH1A1 P00352 3/20 0.64
FABP4 P15090 3/20 0.64
HSD17B10 Q99714 3/20 0.64
TLR2 O60603 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
KMT2A Q03164 2/20 0.64
ALOX15 P16050 2/20 0.64
SLC22A6 Q4U2R8 1/20 0.64
SLC22A8 Q8TCC7 1/20 0.64
MEN1 O00255 1/20 0.64
ESR1 P03372 1/20 0.64
PDE4A P27815 1/20 0.64

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 SCHEMBL27628803 0.98 GPR84 (0.68) AKR1B1GPR84PPARGPPARDPPARA
Heptanoate SCHEMBL9706299 0.98 GPR84 (0.68) AKR1B1GPR84PPARGPPARDPPARA
Stearic Acid SCHEMBL8132485 0.98 GPR84 (0.68) AKR1B1GPR84PPARGPPARDPPARA
Octanoic Acid SCHEMBL7413713 0.98 GPR84 (0.68) AKR1B1GPR84PPARGPPARDPPARA
Palmitic Acid SCHEMBL27955991 0.98 GPR84 (0.68) AKR1B1GPR84PPARGPPARDPPARA
Valeric Acid SCHEMBL454061 0.94 ALDH1A1 (0.61) AKR1B1GPR84PPARGPPARDPPARA
Adipic Acid SCHEMBL11807980 0.94 ALDH1A1 (0.67) AKR1B1GPR84PPARGPPARDPPARA
Dodecanoate SCHEMBL28964764 0.93 GPR84 (0.61) AKR1B1GPR84PPARGPPARDPPARA
Hexanoate SCHEMBL27507375 0.93 AKR1B1 (0.57) AKR1B1GPR84PPARGPPARDPPARA
Butyric Acid SCHEMBL3939998 0.92 ALDH1A1 (0.58) AKR1B1GPR84PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761478-B1 AN ISOLATED ATOMOXETINE IMPURITY, PROCESSES FOR THE PREPARATION OF ATOMOXETINE IMPURITIES AND THEIR USE AS REFERENCE STANDARDS TEVA PHARM FINE CHEMICALS SRL (IT) 2008-09-03 EP claimed
US-7378553-B2 Isolated atomoxetine impurity, processes for the preparation of atomoxetine impurities and their use as reference standards TEVA PHARMACEUTICAL FINE CHEMICALS S.R.L. (IT) 2008-05-27 US claimed
EP-1761478-A2 AN ISOLATED ATOMOXETINE IMPURITY, PROCESSES FOR THE PREPARATION OF ATOMOXETINE IMPURITIES AND THEIR USE AS REFERENCE STANDARDS Teva Pharmaceutical Fine Chemicals S.R.L. (IT) 2007-03-14 EP claimed
WO-2006004979-A2 AN ISOLATED ATOMOXETINE IMPURITY, PROCESSES FOR THE PREPARATION OF ATOMOXETINE IMPURITIES AND THEIR USE AS REFERENCE STANDARDS TEVA PHARMACEUTICAL FINE CHEMICALS S.R.L. (IT) 2006-01-12 WO claimed
US-20060009532-A1 Isolated atomoxetine impurity, processes for the preparation of atomoxetine impurities and their use as reference standards TEVA PHARMCEUTICALS USA, INC. 2006-01-12 US claimed
WO-2004052883-A2 PROCESS FOR THE SEPARATION OF ENANTIOMERS HONEYWELL INTERNATIONAL INC. (US) 2004-06-24 WO claimed
CN-102471453-B Polycarbonates having a scratch-resistant coating and having high transparency, method for the production thereof, and use thereof BASF COATINGS GMBH 2014-09-17 CN disclosed
EP-1761478-B1 AN ISOLATED ATOMOXETINE IMPURITY, PROCESSES FOR THE PREPARATION OF ATOMOXETINE IMPURITIES AND THEIR USE AS REFERENCE STANDARDS TEVA PHARM FINE CHEMICALS SRL (IT) 2008-09-03 EP disclosed
US-7378553-B2 Isolated atomoxetine impurity, processes for the preparation of atomoxetine impurities and their use as reference standards TEVA PHARMACEUTICAL FINE CHEMICALS S.R.L. (IT) 2008-05-27 US disclosed
US-7355078-B2 Processes for the preparation of tomoxetine TEVA PHARMACEUTICAL FINE CHEMICALS S.R.L. (IT) 2008-04-08 US disclosed
CN-101151257-A Process for production of 1-(3-(2-(1-benzothiophen-5-yl)-ethoxy)propyl)azetidin-3-ol or salts thereof TOYAMA CHEMICAL CO LTD (JP) 2008-03-26 CN disclosed
CN-1946678-A Isolated atomoxetine impurity, processes for the preparation of atomoxetine impurities and their use as reference standards TEVA PHARM FINE CHEMICALS SRL (IT) 2007-04-11 CN disclosed
EP-1761478-A2 AN ISOLATED ATOMOXETINE IMPURITY, PROCESSES FOR THE PREPARATION OF ATOMOXETINE IMPURITIES AND THEIR USE AS REFERENCE STANDARDS Teva Pharmaceutical Fine Chemicals S.R.L. (IT) 2007-03-14 EP disclosed
CN-1442410-A Improved method of preparing secnidazole GEN CHEMICAL LAB LTD (IN) 2003-09-17 CN disclosed
CN-1120828-C Process for purifying pentafluoroethane ZHEJIANG PROV CHEMICAL ENGINEE (CN) 2003-09-10 CN disclosed
CN-1295995-A Process for purifying pentafluoroethane ZHEJIANG PROVICIAL CHEMICAL IN (CN) 2001-05-23 CN disclosed
WO-1998000762-A1 OPTICAL COATINGS CONTAINING A BINDER AND ONE OR MORE OF POLYHYDROXYFLAVONES, HYDROXYLATED BENZOIC ACID DERIVATIVES AND HYDROXYLATED NAPHTHOIC ACID DERIVATIVES ZENECA LIMITED (GB) 1998-01-08 WO disclosed
US-4229533-A CULTIVATING NOCARDIA IN PRESENCE OF LEVCINE, ALPHA-KETOISOCAPROIC ACID OR DERIVATIVES TAKECA CHEMICAL INDUSTRIES, LTD. (JP) 1980-10-21 US disclosed
US-4228239-A CULTURE MEDIUM CONTAINS VALINE, ISOBUTYRIC ACID AND/OR THEIR DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1980-10-14 US disclosed
US-3943158-A POLYURETHANE MONOMERS BAYER AKTIENGESELLSCHAFT (DT) 1976-03-09 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 (1 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-20060009532-A1 Isolated atomoxetine impurity, processes for the preparation of atomoxetine impurities and their use as reference standards PNMT, HTR3C, TH AKR1B1 1466/4885GPR84 3251/4885PPARG 2900/4885

“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.