SCHEMBL198082

SCHEMBL198082

O=C(O)C(O)(c1ccccc1)C1CCCCC1

nearest known ligand 0.96

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.96
NFE2L2 Q16236 1/20 0.96
CHRM3 P20309 11/20 0.57
CHRM2 P08172 9/20 0.57
CHRM1 P11229 8/20 0.57
POLB P06746 1/20 0.55
ALDH1A1 P00352 2/20 0.54
KCNH2 Q12809 2/20 0.52
SLC6A3 Q01959 1/20 0.52
CHRM4 P08173 1/20 0.51
CHRM5 P08912 1/20 0.51
HRH1 P35367 1/20 0.51
HTR2B P41595 1/20 0.51
CYP1A2 P05177 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL1235433 1.00 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL2764243 1.00 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL3909615 1.00 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL198312 1.00 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL29903954 1.00 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
Hydrochloric Acid SCHEMBL6004238 0.98 KEAP1 (0.93) KEAP1NFE2L2CHRM3CHRM2CHRM1
Hydrochloric Acid SCHEMBL8197629 0.98 KEAP1 (0.93) KEAP1NFE2L2CHRM3CHRM2CHRM1
Hydrochloric Acid SCHEMBL8204903 0.98 KEAP1 (0.93) KEAP1NFE2L2CHRM3CHRM2CHRM1
Water SCHEMBL8898031 0.98 KEAP1 (0.93) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL415801 0.98 KEAP1 (1.00) KEAP1NFE2L2CHRM3CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4297725-B1 SYRINGE STERILIZATION METHOD FARCO GMBH (DE) 2024-10-23 EP claimed
EP-4360669-A2 METHOD FOR SYRINGE STERILIZATION Farco-Pharma GmbH (DE) 2024-05-01 EP claimed
EP-4297725-A1 SYRINGE STERILIZATION METHOD Farco-Pharma GmbH (DE) 2024-01-03 EP claimed
WO-2023214426-A1 PROCESS FOR THE PREPARATION OF R-OXYBUTYNIN HYDROCHLORIDE HARMAN FINOCHEM LIMITED (IN) 2023-11-09 WO claimed
WO-2022223174-A1 SYRINGE STERILIZATION METHOD FARCO-PHARMA GMBH (DE) 2022-10-27 WO claimed
CN-114805100-A Preparation method of oxybutynin hydrochloride 南京亿华药业有限公司 2022-07-29 CN claimed
US-10449173-B2 Method for treating overactive bladders and a device for storage and administration of topical oxybutynin compositions ALLERGAN SALES, LLC (US) 2019-10-22 US claimed
EP-3287122-B1 DEVICE FOR STORAGE AND ADMINISTRATION OF TOPICAL OXYBUTYNIN COMPOSITIONS FOR TREATING OVERACTIVE BLADDERS. ALLERGAN SALES LLC (US) 2019-04-17 EP claimed
EP-3287122-A1 A METHOD FOR TREATING OVERACTIVE BLADDERS AND A DEVICE FOR STORAGE AND ADMINISTRATION OF TOPICAL OXYBUTYNIN COMPOSITIONS Allergan Sales, LLC (US) 2018-02-28 EP claimed
EP-2427172-B1 A METHOD FOR TREATING OVERACTIVE BLADDERS AND A DEVICE FOR STORAGE AND ADMINISTRATION OF TOPICAL OXYBUTYNIN COMPOSITIONS ALLERGAN SALES LLC (US) 2017-11-01 EP claimed
EP-1205464-A2 Production method of 2-cyclohexyl-2-hydroxy-2-phenylacetic acid intermediate therefor and production method thereof SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2002-05-15 EP claimed
EP-1185498-A2 SYNTHESIS OF OPTICALLY ACTIVE CYCLOHEXYLPHENYLGLYCOLIC ACID AND ITS ESTERS Sepracor Inc. (US) 2002-03-13 EP claimed
EP-1127043-A1 STEREOSELECTIVE PROCESS FOR PREPARING (CYCLO)ALKYL PHENYLGLYCOLIC ACIDS Sepracor Inc. (US) 2001-08-29 EP claimed
US-6180823-B1 CONDENSING SUBSTITUTED ACETALDEHYDE WITH ENANTIOMER OF MANDELIC ACID TO PROVIDE 5-PHENYL-1,3-DIOXOLAN-4-ONE, CONDENSING WITH CYCLOHEXANONE, DEHYDRATING PRODUCT, HYDROLYZING, REDUCING TO ALPHA-CYCLOHEXYLPHENYLGLYCOLIC ACID SEPRACOR INC. 2001-01-30 US claimed
US-6140529-A Synthesis of optically active cyclohexylphenylglycolate esters SEPRACOR INC. (US) 2000-10-31 US claimed
US-6090971-A Resolution process for cyclohexylphenyl glycolic acid SEPRACOR INC. (US) 2000-07-18 US claimed
WO-2000027786-A1 STEREOSELECTIVE PROCESS FOR PREPARING (CYCLO)ALKYL PHENYLGLYCOLIC ACIDS SEPRACOR INC. (US) 2000-05-18 WO claimed
WO-2000023414-A2 SYNTHESIS OF OPTICALLY ACTIVE CYCLOHEXYLPHENYLGLYCOLIC ACID AND ITS ESTERS SEPRACOR INC. (US) 2000-04-27 WO claimed
US-6025177-A ENANTIOSELECTIVE SYNTHESIS OF CHIRAL ALPHA-HYDROXYCARBOXYLATE BY REACTING A PROCHIRAL ALPHA-KETOCARBOXYLIC ACID WITH A SINGLE ENANTIOMER OF AN N-SUBSTITUTED VICINAL AMINOALCOHOL OF SPECIFIC CYCLOHYDROCARBONS TO FORM ALPHA-HYDROXYCARBOXYLATE SEPRACOR INC. (US) 2000-02-15 US claimed
WO-1999050205-A2 ASYMMETRIC GRIGNARD SYNTHESIS WITH CYCLIC 1,2 AMINOALCOHOLS SEPRACOR INC. (US) 1999-10-07 WO claimed