SCHEMBL5067141

SCHEMBL5067141

CC(=O)C(C(=O)OC(=O)C(C(C)=O)C(O)(CC(=O)O)C(=O)O)C(O)(CC(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.46
CPT2 P23786 1/20 0.46
HSPD1 P10809 1/20 0.39
BLM P54132 1/20 0.39
HSPE1 P61604 1/20 0.39
ALDH1A1 P00352 1/20 0.35
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL1463441 0.87 CPT2 (0.44) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL11759624 0.86 CPT2 (0.43) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL11759770 0.83 HSPD1 (0.42) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL284430 0.82 ACLY (0.55) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL28860400 0.82 ACLY (0.55) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL9418858 0.81 ACLY (0.46) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL9276069 0.80 HSPD1 (0.47) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL18725866 0.80 CPT2 (0.39) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL9418857 0.79 ACLY (0.43) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL4580780 0.78 TSHR (0.38) ACLYCPT2ALDH1A1CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0576451-B1 CITRIC ACID ESTERS OF POLYHYDROXYLE COMPOUNDS AND THEIR USE IN WASHING AND CLEANING PRODUCTS BASF AG (DE) 1996-05-29 EP claimed
US-5508394-A BUILDERS IN LOW(OR NO)PHOSPHATE DETERGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-04-16 US claimed
US-8246857-B2 Ultilizing synergistic combination of alkyl polyglycoside and polyaspartic acid component; superior environmental categorization; offshore oil and gas industry, heating and cooling circuits, water treatment BASF AKTIENGESELLSCHAFT (DE) 2012-08-21 US disclosed
US-20080272342-A1 Chemical Composition Useful as Corrosion Inhibitor BASF AKTIENGESELLSCHAFT (DE) 2008-11-06 US disclosed
EP-1969158-A2 CHEMICAL COMPOSITION USEFUL AS CORROSION INHIBITOR BASF SE (DE) 2008-09-17 EP disclosed
WO-2007063069-A2 CHEMICAL COMPOSITION USEFUL AS CORROSION INHIBITOR BASF SE (DE) 2007-06-07 WO disclosed
US-6777527-B1 ETHOXYLATED POLYAMINES ARE FOR EXAMPLE USED IN CLEANING COMPOSITIONS BASF AKTIENGESELLSCHAFT (DE) 2004-08-17 US disclosed
US-6750189-B1 ONE OR MORE LYSINE AND/OR ORNITHINE BASED POLYMERS WHICH PROVIDE ENHANCED FABRIC APPEARANCE BENEFITS THE PROCTER & GAMBLE COMPANY 2004-06-15 US disclosed
US-6673206-B1 PAPER STOCK IS DRAINED IN THE PRESENCE OF CONDENSATES OF BASIC AMINO ACIDS WITH SHEET FORMATION; INCREASE THE ABSORBITIVITY OF THE PAPER BASF AKTIENGESELLSCHAFT (DE) 2004-01-06 US disclosed
EP-1153119-A1 FABRIC ENHANCEMENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2001-11-14 EP disclosed
US-6214786-B1 MIXTURE OF SURFACTANTS AND POLYMERS FOR DETERGENTS THE PROCTER & GAMBLE COMPANY 2001-04-10 US disclosed
US-5650477-A Liquid reactive thermosetting compositions and process for their cross-linking ENICHEM S.P.A. (IT) 1997-07-22 US disclosed
US-5599630-A THERMOSET PLASTIC MOLDING HAVING MACHINED SURFACES COATED WITH LOW VISCOSITY POLYEPOXIDE TO PREVENT SURFACE DEFECTS; PAINT FINISH QUALITY MAGNA INTERNATIONAL INC. (CA) 1997-02-04 US disclosed
EP-0720995-A2 Liquid reactive thermosetting compositions and process for their crosslinking ENICHEM S.p.A. (IT) 1996-07-10 EP disclosed
US-5531934-A POLYASPARTIC ACID AND POLYGLUTAMIC ACID WITH PYROPHOSPHATE FOR CORROSION RESISTANCE OF FERROUS METALS ROHM & HAAS COMPANY (US) 1996-07-02 US disclosed
US-5508394-A BUILDERS IN LOW(OR NO)PHOSPHATE DETERGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-04-16 US disclosed
US-5508394-A BUILDERS IN LOW(OR NO)PHOSPHATE DETERGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-04-16 US disclosed
EP-0705794-A2 Method of inhibiting sulfate scale in aqueous systems ROHM AND HAAS COMPANY (US) 1996-04-10 EP disclosed
EP-0700987-A2 Method of inhibiting corrosion in aqueous systems ROHM AND HAAS COMPANY (US) 1996-03-13 EP disclosed
US-5052415-A Homogeneity coating B.A.T. CIGARETTENFABRIKEN GMBH (DE) 1991-10-01 US disclosed