SCHEMBL6444996

SCHEMBL6444996

C/C=C/COC(=O)CC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.46
GAA P10253 2/20 0.46
SI P14410 2/20 0.46
MGAM2 Q2M2H8 2/20 0.46
TSHR P16473 3/20 0.33
KDM4E B2RXH2 1/20 0.32
KDM6B O15054 1/20 0.32
KDM5C P41229 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL6445001 1.00 MGAM (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL20528139 0.89 MGAM (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL5227698 0.83 MGAM (0.46) MGAMGAASIMGAM2
SCHEMBL16667687 0.82 MGAM (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL448049 0.81 ADRA2A (0.41) MGAMGAASIMGAM2TSHR
SCHEMBL11547161 0.81 MGAM (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL6865669 0.81 GAA (0.62) MGAMGAASIMGAM2TSHR
SCHEMBL9068329 0.81 MGAM (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL2266822 0.80
SCHEMBL3899433 0.80 TSHR (0.37) MGAMGAASIMGAM2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109053526-A The chemical synthesis process of one kind (3R, 4S) -4- methylpyrrolidin- 3- carbamate hydrochloride 南通大学 2018-12-21 CN claimed
CN-103564405-B Pear essence and preparation method thereof GUANGDONG SHUNDA FOOD FLAVORING CO LTD 2015-01-07 CN claimed
CN-103564405-A Pear essence and preparation method thereof GUANGDONG SHUNDA FOOD FLAVORING CO LTD 2014-02-12 CN claimed
WO-2023099310-A1 PREPARATION OF HIGH SOLID CONTENT, SURFACTANT-FREE LATEX USING FUNCTIONAL AMPHIPHILIC WATERBORNE MACRO-RAFT AGENT BASF SE (DE) 2023-06-08 WO disclosed
EP-3713975-B1 AN ADDITIVE COMPOSITION AND APPLICATION THEREOF BASF SE (DE) 2022-10-12 EP disclosed
US-20200369809-A1 AN ADDITIVE COMPOSITION AND APPLICATION THEREOF BASF ADVANCED CHEMICALS CO., LTD. (CN) 2020-11-26 US disclosed
US-20200369809-A1 AN ADDITIVE COMPOSITION AND APPLICATION THEREOF BASF ADVANCED CHEMICALS CO., LTD. (CN) 2020-11-26 US disclosed
EP-3713975-A1 AN ADDITIVE COMPOSITION AND APPLICATION THEREOF BASF SE (DE) 2020-09-30 EP disclosed
CN-111587264-A Additive composition and application thereof 巴斯夫欧洲公司 2020-08-25 CN disclosed
CN-110317191-A A kind of pyridine-heterocyclic compound and its application as CXCR4 inhibitor 苏州云轩医药科技有限公司 2019-10-11 CN disclosed
CN-110167928-A The quinazoline and derivative that Novel warp benzylamino as SOS1 inhibitor replaces 勃林格殷格翰国际有限公司 2019-08-23 CN disclosed
CN-103564405-B Pear essence and preparation method thereof GUANGDONG SHUNDA FOOD FLAVORING CO LTD 2015-01-07 CN disclosed
CN-102007118-B Pyrrolidinone glucokinase activators HOFFMANN LA ROCHE 2014-12-31 CN disclosed
CN-104080768-A Aryldihydropyridinones and piperidones as MGAT2 inhibitors BRISTOL MYERS SQUIBB CO 2014-10-01 CN disclosed
CN-103564405-A Pear essence and preparation method thereof GUANGDONG SHUNDA FOOD FLAVORING CO LTD 2014-02-12 CN disclosed
CN-103492377-A Triazolopyridine compounds as PIM kinase inhibitors ARRAY BIOPHARMA INC 2014-01-01 CN disclosed
EP-1189874-B1 EXCITATORY AMINO ACID RECEPTOR MODULATORS LILLY SA (ES) 2005-01-26 EP disclosed
US-6504052-B1 2-carboxycyclopropyl glycine derivatives, used as agonists of glutamate receptors for prophylaxis of psychological and nervous system disorders; anxiolytics; antidepressants; drug abuse; anticonvulsant, analgesic and antiemetic agents ELI LILLY AND COMPANY 2003-01-07 US disclosed
EP-1189874-A1 EXCITATORY AMINO ACID RECEPTOR MODULATORS Lilly, S.A. (ES) 2002-03-27 EP disclosed
WO-2000075102-A1 EXCITATORY AMINO ACID RECEPTOR MODULATORS LILLY, S.A. (ES) 2000-12-14 WO disclosed