SCHEMBL50977

SCHEMBL50977

[CH2]C(C)OC(C)=O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL4740246 1.00
SCHEMBL1218122 1.00
SCHEMBL5074472 0.78
SCHEMBL1314477 0.78 TSHR (0.53)
SCHEMBL8682614 0.75
SCHEMBL2888175 0.75
SCHEMBL27476949 0.75
SCHEMBL33313 0.75
SCHEMBL987906 0.73 TSHR (0.65)
SCHEMBL21064874 0.73 TSHR (1.00)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170850-B1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS BIOPROJET SOC CIV (FR) 2014-09-24 EP claimed
US-20100099875-A1 NEW ORTHO-FUNCTIONALIZED P-CHIRAL ARYLPHOSPHINES AND DERIVATIVES: THEIR PREPARATION AND USE IN ASYMMETRIC CATALYSIS PHOSPHOENIX SARL (FR) 2010-04-22 US claimed
US-7517471-B2 And benzo[1,2-b:3,4-b']difuran derivatives; liquid crystal media, electrooptical displays; negative Delta epsilon, vertically alligned thin film transistors MERCK PATENT GMBH (DE) 2009-04-14 US claimed
EP-1347780-B1 COMPOSITIONS OF N-(METHYLETHYLAMINOCARBONYL)-4-(3-METHYLPHENYLAMINO)-3-PYRIDYLSULFONAMIDE AND CYCLIC OLIGOSACCHARIDES PLIVA PHARM & CHEM WORKS (HR) 2007-01-03 EP claimed
US-7037928-B2 Compositions of N-(methylethylaminocarbonyl)-4-(-3-methylphenylamino)-3-pyridylsulfonamide and cyclic oligosaccharides PLIVA, FARMACEUTSKA INDUSTRIJA, DIONICKO DRUSTVO (HR) 2006-05-02 US claimed
JP-2004513155-A 2004-04-30 JP claimed
US-20040039204-A1 Compositions of n-(methylethaylaminocarbonyl)-4-(-3-methylphenylamino)-3-pyridylsulfonamide and cyclic oligosacccharides PLIVA FARMACEUTSKA INDUSTRIJ, DIONICKO DRUSTVO (HR) 2004-02-26 US claimed
EP-1347780-A1 COMPOSITIONS OF N-(METHYLETHYLAMINOCARBONYL)-4-(3-METHYLPHENYLAMINO)-3-PYRIDYLSULFONAMIDE AND CYCLIC OLIGOSACCHARIDES Pliva, Farmaceutska, Industrija, Dionicko Drustvo (HR) 2003-10-01 EP claimed
US-6458766-B1 A PHARMACEUTICALLY ACCEPTABLE SALT OR DERIVATIVES THEREOF, USEFUL FOR PREVENTING OR TREATING VIRAL AND MICROBIAL INFECTIONS, OF OLIGOPEOTIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-10-01 US claimed
WO-2002038186-A1 COMPOSITIONS OF N-(METHYLETHYLAMINOCARBONYL)-4-(3-METHYLPHENYLAMINO)-3-PYRIDYLSULFONAMIDE AND CYCLIC OLIGOSACCHARIDES PLIVA, FARMACEUTSKA INDUSTRIJA, DIONICKO DRUSTVO (HR) 2002-05-16 WO claimed
US-4831166-A REACTING ALKYLENE OXIDE WITH ACYLACETATE USING IONIC HALIDE CATALYST BASF AKTIENGESELLSCHAFT (DE) 1989-05-16 US claimed
US-4795627-A AZIRIDINIUM ANALOG USED TO EVALUATE THE MECHANISM OF NEUROTRANSMITTER REGULATION UNIVERSITY OF PITTSBURGH (US) 1989-01-03 US claimed
EP-0212535-A1 N6-disubstituted purine derivatives, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1987-03-04 EP claimed
EP-0178743-A2 Novel tritium labelled N-mustard type compounds and a process for their production UNIVERSITY OF PITTSBURGH (US) 1986-04-23 EP claimed
EP-0081125-B1 CATIONIC DYES, THEIR PREPARATION PROCESS AND THEIR USE IN DYEING AND MASS DYEING BAYER AG (DE) 1985-05-08 EP claimed
US-4497820-A Substituted iminoderivatives of dihydrobenzopyran and dihydrobenzothiopyran FARMITALIA CARLO ERBA S.P.A. (IT) 1985-02-05 US claimed
EP-0081125-A1 Cationic dyes, their preparation process and their use in dyeing and mass dyeing BAYER AG (DE) 1983-06-15 EP claimed
EP-0011173-B1 PROCESS FOR PRODUCING ANTIBIOTIC BETA-LACTAM COMPOUNDS SANRAKU-OCEAN CO., LTD. (JP) 1983-05-11 EP claimed
US-4341700-A Monoazo compounds having a substituted 1,2,3-triazolyl-5 diazo component radical and an unsubstituted or substituted 1,4-phenylene coupling component radical SANDOZ LTD. (CH) 1982-07-27 US claimed
US-3980632-A SYNTHETIC MATERIALS, LEATHER, PAPER, PIGMENTING PLASTICS SANDOZ LTD. (CH) 1976-09-14 US claimed