SCHEMBL529327

SCHEMBL529327

c1c2c(nc3c1CCCC3)CCCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
PRNP P04156 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
GAA P10253 1/20 0.45
ALOX15 P16050 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 6/20 0.42
HTT P42858 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HIF1A Q16665 1/20 0.41
ACHE P22303 1/20 0.40
SLC9A1 P19634 1/20 0.40

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
SCHEMBL11729324 0.97 SMN1; SMN2 (0.48) SMN1; SMN2PRNPRXFP1GAAALOX15
SCHEMBL12507659 0.97 SMN1; SMN2 (0.48) SMN1; SMN2PRNPRXFP1GAAALOX15
SCHEMBL12507660 0.97 SMN1; SMN2 (0.48) SMN1; SMN2PRNPRXFP1GAAALOX15
SCHEMBL10144361 0.94 PRNP (0.50) SMN1; SMN2PRNPRXFP1GAAALOX15
SCHEMBL974373 0.82 SMN1; SMN2 (0.43) SMN1; SMN2PRNPRXFP1GAAALOX15
SCHEMBL31177107 0.81 SMN1; SMN2 (0.34) SMN1; SMN2PRNPRXFP1ALOX15NPC1
SCHEMBL6607763 0.81 CYP3A4 (0.47) SMN1; SMN2GAAALOX15ADRA2AADRA2B
Hydrochloric Acid SCHEMBL31648022 0.81 ALOX15 (0.39) SMN1; SMN2PRNPRXFP1GAAALOX15
SCHEMBL2210881 0.79 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EHTTHSD17B10TSHR
SCHEMBL15886676 0.78 PRNP (0.52) SMN1; SMN2PRNPRXFP1GAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112159357-B Refining method of caprolactam 浙江恒逸石化研究院有限公司 2023-05-23 CN claimed
US-11459302-B2 Refining process and refining system of caprolactam Zhejiang Hengyi Petrochemical Research Institute Co., Ltd. (CN) 2022-10-04 US claimed
CN-112142637-B Method and system for refining caprolactam 浙江恒逸石化研究院有限公司 2022-09-02 CN claimed
US-20220089545-A1 REFINING PROCESS AND REFINING SYSTEM OF CAPROLACTAM ZHEJIANG HENGLAN SCIENCE & TECHNOLOGY CO., LTD. (CN) 2022-03-24 US claimed
CN-112159357-A Refining method of caprolactam 浙江恒澜科技有限公司 2021-01-01 CN claimed
CN-112142637-A Method and system for refining caprolactam 浙江恒澜科技有限公司 2020-12-29 CN claimed
CN-112079760-A Method and system for refining caprolactam 浙江恒澜科技有限公司 2020-12-15 CN claimed
EP-1831167-B1 LIQUID PHASE PROCESS FOR THE SYNTHESIS OF ANNULATED PYRIDINES OVER ZEOLITE TYPE MOLECULAR SIEVE CATALYSTS COUNCIL SCIENT IND RES (IN) 2011-07-13 EP claimed
US-7491828-B2 Liquid phase process for the synthesis of annulated pyridines over molecular sieve catalysts COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2009-02-17 US claimed
EP-1709017-A1 UREA DERIVATIVES MERCK PATENT GmbH (DE) 2006-10-11 EP claimed
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
EP-0912478-A1 PROCESS FOR THE SEPARATION OF 2-ALKENE-1,4-DIOLS AND 3-ALKENE-1, 2-DIOLS FROM CATALYSTS EASTMAN CHEMICAL COMPANY (US) 1999-05-06 EP claimed
EP-0912477-A1 PROCESS FOR THE PREPARATION OF 2-ALKENE-1,4-DIOLS AND 3-ALKENE-1,2-DIOLS FROM $g(g),$g(d)-EPOXYALKENES EASTMAN CHEMICAL COMPANY (US) 1999-05-06 EP claimed
US-5856591-A USING AN EPOXYALKENE SOLVENT EASTMAN CHEM CO (US) 1999-01-05 US claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO claimed
WO-1998002405-A9 PROCESS FOR THE SEPARATION OF 2-ALKENE-1,4-DIOLS AND 3-ALKENE-1, 2-DIOLS FROM CATALYSTS 1998-06-04 WO claimed
WO-1998002404-A1 PROCESS FOR THE PREPARATION OF 2-ALKENE-1,4-DIOLS AND 3-ALKENE-1,2-DIOLS FROM η,δ-EPOXYALKENES EASTMAN CHEMICAL COMPANY (US) 1998-01-22 WO claimed
WO-1998002405-A1 PROCESS FOR THE SEPARATION OF 2-ALKENE-1,4-DIOLS AND 3-ALKENE-1, 2-DIOLS FROM CATALYSTS EASTMAN CHEMICAL COMPANY (US) 1998-01-22 WO claimed
EP-0204535-B1 N-FLUOROPYRIDINIUM SALT AND PROCESS FOR PREPARING SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-08-19 EP claimed