SCHEMBL2233517

SCHEMBL2233517

CC(=O)C(C(C)=O)C(=O)C(=O)[O-].CC(=O)C(C(C)=O)C(=O)C(=O)[O-].[Ca+2]

nearest known ligand 0.42

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA4 P22748 3/20 0.42
CA1 P00915 2/20 0.39
FAHD1 Q6P587 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
SCHEMBL5160030 0.94 CA4 (0.42) CA4CA1FAHD1
SCHEMBL2342402 0.94 CA4 (0.42) CA4CA1FAHD1
Zinc Ion SCHEMBL4238546 0.94 CA4 (0.42) CA4CA1FAHD1
SCHEMBL1525678 0.94 CA4 (0.42) CA4CA1FAHD1
SCHEMBL2864349 0.94 CA4 (0.42) CA4CA1FAHD1
SCHEMBL3630324 0.94 CA4 (0.42) CA4CA1FAHD1
SCHEMBL6263175 0.92 CA4 (0.40) CA4CA1FAHD1
SCHEMBL28886253 0.89 CA4 (0.38) CA4CA1
SCHEMBL29051218 0.87 CA4 (0.36) CA4CA1
SCHEMBL4816778 0.73 TDP1 (0.40) CA4CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4095164-B1 UNIVERSAL ADHESION PROMOTERS BASED ON ORGANOFUNCTIONALLY MODIFIED POLYBUTADIENES EVONIK OPERATIONS GMBH (DE) 2023-11-15 EP disclosed
EP-4095165-B1 POLYESTER-POLYETHER-MODIFIED POLYBUTADIENE AND METHOD FOR PRODUCING THE SAME EVONIK OPERATIONS GMBH (DE) 2023-11-15 EP disclosed
EP-4245827-A1 METHOD FOR PRODUCING FLUXED UP-CONVERSION PHOSPHORS Evonik Operations GmbH (DE) 2023-09-20 EP disclosed
EP-3929254-B1 COMPOSITION FOR PRODUCING COATINGS WITH ANTIMICROBIAL PROPERTIES EVONIK OPERATIONS GMBH (DE) 2023-01-18 EP disclosed
EP-4074784-A1 COMPOSITION FOR PRODUCING COATINGS WITH IMPROVED LUMINESCENT MATERIAL Evonik Operations GmbH (DE) 2022-10-19 EP disclosed
EP-3929254-A1 COMPOSITION FOR PRODUCING COATINGS WITH ANTIMICROBIAL PROPERTIES Evonik Operations GmbH (DE) 2021-12-29 EP disclosed
EP-3929253-A1 COMPOSITION FOR PRODUCING COATINGS WITH ANTIMICROBIAL PROPERTIES Evonik Operations GmbH (DE) 2021-12-29 EP disclosed
EP-3470475-B1 CURABLE COMPOSITION FOR COATINGS WITH ANTI-ADHESIVE PROPERTY EVONIK OPERATIONS GMBH (DE) 2021-01-27 EP disclosed
EP-3077440-B1 ALKOXYSILYL-CONTAINING ADHESIVE SEALANTS WITH INTRINSICALLY REDUCED VISCOSITY EVONIK DEGUSSA GMBH (DE) 2019-10-30 EP disclosed
EP-3470475-A1 CURABLE COMPOSITION FOR COATINGS WITH ANTI-ADHESIVE PROPERTY Evonik Degussa GmbH (DE) 2019-04-17 EP disclosed
EP-3050910-B1 MODIFIED ALKOXYLATION PRODUCTS COMPRISING AT LEAST ONE NON-TERMINAL ALKOXYSILYL GROUP WITH INCREASED STORAGE STABILITY AND IMPROVED ELASTICITY AND POLYMERS PRODUCED AS A RESULT OF THEIR USE EVONIK DEGUSSA GMBH (DE) 2016-12-07 EP disclosed
EP-3077440-A1 ALKOXYSILYL-CONTAINING ADHESIVE SEALANTS WITH INTRINSICALLY REDUCED VISCOSITY Evonik Degussa GmbH (DE) 2016-10-12 EP disclosed
WO-2016120023-A1 MODIFIED ALKOXYLATION PRODUCTS HAVING AT LEAST ONE NON-TERMINAL ALKOXY SILYL GROUP, WITH INCREASED STORAGE STABILITY AND IMPROVED ELONGATION, AND POLYMERS PRODUCED USING SAID PRODUCTS EVONIK DEGUSSA GMBH (DE) 2016-08-04 WO disclosed
EP-3050910-A1 Modified alkoxylation products comprising at least one non-terminal alkoxysilyl group with increased storage stability and improved elasticity and polymers produced as a result of their use Evonik Degussa GmbH (DE) 2016-08-03 EP disclosed
EP-2986657-A2 ALKOXYSILYL-CONTAINING ADHESIVE SEALANTS WITH INTRINSICALLY REDUCED VISCOSITY Evonik Degussa GmbH (DE) 2016-02-24 EP disclosed
WO-2015082264-A1 ALKOXYSILYL-CONTAINING ADHESIVE SEALANTS WITH INTRINSICALLY REDUCED VISCOSITY EVONIK INDUSTRIES AG (DE) 2015-06-11 WO disclosed
EP-2840104-A1 Modified alkoxylation products containing alkoxysilyl groups and urethane groups and their use Evonik Industries AG (DE) 2015-02-25 EP disclosed
WO-2014170072-A2 ALKOXYSILYL-CONTAINING ADHESIVE SEALANTS WITH INTRINSICALLY REDUCED VISCOSITY EVONIK INDUSTRIES AG (DE) 2014-10-23 WO disclosed
WO-2012130674-A2 ALKOXYSILYL-CONTAINING ADHESIVE SEALANTS HAVING AN INCREASED RUPTURE STRESS EVONIK GOLDSCHMIDT GMBH (DE) 2012-10-04 WO disclosed
EP-2354177-A1 Particle and composite particle, uses of same and method for producing same from alkoxylation products containing alkosilyl groups Evonik Goldschmidt GmbH (DE) 2011-08-10 EP disclosed