SCHEMBL74272

SCHEMBL74272

CC(=O)CC(=O)OCCCl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
MGAM O43451 2/20 0.50
SI P14410 2/20 0.50
MGAM2 Q2M2H8 2/20 0.50
KMT2A Q03164 1/20 0.35
CHRM5 P08912 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM3 P20309 3/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA7 P36544 2/20 0.33
CHRNA4 P43681 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
FAAH O00519 1/20 0.33
TRPA1 O75762 1/20 0.33
PGR P06401 1/20 0.33
HTR1A P08908 1/20 0.33
TBXA2R P21731 1/20 0.33

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
SCHEMBL9808572 0.86 MGAM (0.46) GAAMGAMSIMGAM2KMT2A
SCHEMBL2701579 0.85 GAA (0.60) GAAMGAMSIMGAM2CHRM5
SCHEMBL9064890 0.85 MGAM (0.46) GAAMGAMSIMGAM2KMT2A
SCHEMBL10900176 0.85 GAA (0.44) GAAMGAMSIMGAM2FAAH
SCHEMBL10901101 0.83 FAAH (0.44) GAAMGAMSIMGAM2FAAH
SCHEMBL10574141 0.83 FAAH (0.44) GAAMGAMSIMGAM2FAAH
Water SCHEMBL2703341 0.82 GAA (0.57) GAAMGAMSIMGAM2CHRM5
SCHEMBL7817166 0.81 MGAM (0.44) GAAMGAMSIMGAM2KMT2A
SCHEMBL16411225 0.80 MGAM (0.55) GAAMGAMSIMGAM2KMT2A
SCHEMBL649327 0.80 MGAM (0.55) GAAMGAMSIMGAM2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103450114-B The chloro-6-methyl isophthalic acid of 5-, the synthetic method of 2,3-Yang oxazine-4 (3H)-one-2,2-dioxide SUZHOU HAOBO TECHNOLOGY HOLDINGS CO., LTD. (CN) 2015-09-02 CN claimed
CN-103592402-B Method for detecting ethyl 2-chloroacetoacetate in ethyl 4-chloroacetoacetate SUZHOU HOPE TECHNOLOGY CO LTD 2015-06-10 CN claimed
CN-103592402-A Method for detecting ethyl 2-chloroacetoacetate in ethyl 4-chloroacetoacetate SUZHOU HOPE TECHNOLOGY CO LTD 2014-02-19 CN claimed
CN-103450114-A Synthetic method of 5-chloro-6-methyl-1,2,3-oxyoxazine-4(3H)-keto-2,2-dioxide SUZHOU HOPE TECHNOLOGY CO LTD 2013-12-18 CN claimed
CN-103030605-A Preparation method and detection method of febuxostat raw material GUIZHOU XINBANG PHARMACEUTICAL CO LTD 2013-04-10 CN claimed
CN-102936230-A New preparation method of febuxostat Ge changle 2013-02-20 CN claimed
EP-4408827-A1 A NEW INTERMEDIATE FOR PREPARATION OF OXAZOLE COMPOUNDS DSM IP Assets B.V. (NL) 2024-08-07 EP disclosed
EP-4408828-A1 A PROCESS FOR PREPARATION OF OXAZOLE COMPOUNDS DSM IP Assets B.V. (NL) 2024-08-07 EP disclosed
CN-112638898-B Heteroaryl substituted sulfonamide compounds and their use as sodium channel inhibitors 泽农医药公司 2024-04-09 CN disclosed
CN-117551026-A Preparation method and application of nicardipine hydrochloride impurity 成都地奥九泓制药厂 2024-02-13 CN disclosed
CN-117209418-A Preparation and purification method of high-purity nicardipine hydrochloride 华仁医学研究(安徽)有限公司 2023-12-12 CN disclosed
EP-4192820-A1 A PROCESS FOR PREPARATION OF OXAZOLE COMPOUNDS DSM IP Assets B.V. (NL) 2023-06-14 EP disclosed
WO-2023052103-A1 A NEW INTERMEDIATE FOR PREPARATION OF OXAZOLE COMPOUNDS DSM IP ASSETS B.V. (NL) 2023-04-06 WO disclosed
US-4404378-A HYPOTENSIVE AGENTS; VASODILATION BANYU PHARMACEUTICAL CO., LTD. (JP) 1983-09-13 US disclosed
US-4370334-A VASODILATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-01-25 US disclosed
EP-0063747-A1 2-Substituted or unsubstituted aminocarbonyloxyalkyl-1,4-dihydropyridines BANYU PHARMACEUTICAL CO., LTD. (JP) 1982-11-03 EP disclosed
US-4338322-A 1,4-Dihydropyridine derivatives, pharmaceutical compositions containing same and methods of effecting vasodilation using same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-07-06 US disclosed
US-4284634-A HYPOTENSIVE VASODILATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-08-18 US disclosed
US-4145432-A 6-ACYLORYALKYL-1,4-DIHYDROPYRIDINE DERIVATIVES AND A METHOD OF EFFECTING VASODILATION THEREWITH FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-03-20 US disclosed
US-3985758-A 1,4-Dihydropyridine derivatives YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1976-10-12 US disclosed