SCHEMBL5079455

SCHEMBL5079455

CCC(CC)C(=O)[O-].CCC(CC)C(=O)[O-].CCC(CC)C(=O)[O-].[Pr+3]

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.58
TSHR P16473 3/20 0.57
CYP3A4 P08684 2/20 0.57
NFKB1 P19838 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.39
CA1 P00915 3/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
FFAR3 O14843 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL9396196 0.94 CA2 (0.58) CA2TSHRCYP3A4NFKB1NPSR1
SCHEMBL1030692 0.94 CA2 (0.58) CA2TSHRCYP3A4NFKB1NPSR1
Zinc Ion SCHEMBL2355344 0.94 CA2 (0.58) CA2TSHRCYP3A4NFKB1NPSR1
SCHEMBL17178412 0.94 CA2 (0.58) CA2TSHRCYP3A4NFKB1NPSR1
SCHEMBL3343198 0.94 CA2 (0.58) CA2TSHRCYP3A4NFKB1NPSR1
SCHEMBL8574352 0.94 CA2 (0.58) CA2TSHRCYP3A4NFKB1NPSR1
SCHEMBL10670321 0.94 CA2 (0.58) CA2TSHRCYP3A4NFKB1NPSR1
Potassium Ion SCHEMBL267337 0.94
SCHEMBL98742 0.94 CA2 (0.58) CA2TSHRCYP3A4NFKB1NPSR1
SCHEMBL1506862 0.94 CA2 (0.58) CA2TSHRCYP3A4NFKB1NPSR1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1972644-B1 METHOD FOR PRODUCING CIS-1,4 DIENE RUBBER, CATALYST, RUBBER OTKRYTOE AKTSIONERNOE OBSCHESTVO EFREMOVSKY ZD SINT KAUCHUKA (RU) 2013-03-06 EP disclosed
EP-1972644-A1 METHOD FOR PRODUCING CIS-1,4 DIENE RUBBER, CATALYST, RUBBER Otkrytoe Aktsionernoe Obschestvo 'Efremovsky Zavod Sinteticheskogo Kauchuka' (RU) 2008-09-24 EP disclosed
US-20040167276-A1 Block copolymer based on conjugated diolefins and polar monomers ARLANXEO DEUTSCHLAND GMBH (DE) 2004-08-26 US disclosed
US-6734257-B2 SUCH AS ADDITION-CONDENSATION POLYMERS OF BUTADIENE AND E-CAPROLACTONE; HIGH CIS-1,4 CONTENT IN THE POLYDIENE BLOCK; USE TO IMPART COMPATIBILITY IN VULCANIZATES FOR TIRES BAYER AKTIENGESELLSCHAFT (DE) 2004-05-11 US disclosed
US-20040030071-A1 Method for polymerizing conjugated diolefins (dienes) with catalysts of rare earths in the presence of vinyl aromatic solvents BAYER AKTIENGESELLSCHAFT (DE) 2004-02-12 US disclosed
US-20030134999-A1 Method for polymerizing conjugated diolefins (dienes) with rare earth catalysts in the presence of vinylaromatic solvents WINDISCH HEIKE (DE) 2003-07-17 US disclosed
US-6576727-B1 Rare earth alcoholate and carboxylate, organoaluminum compound, and Lewis acid; flowability BAYER AKTIENGESELLSCHAFT (DE) 2003-06-10 US disclosed
US-20020183467-A1 Block copolymer based on conjugated diolefins and polar monomers ARLANXEO DEUTSCHLAND GMBH (DE) 2002-12-05 US disclosed
US-20020077433-A1 Catalyst system for the polymerization of dienes BAYER AKTIENGESELLSCHAFT (DE) 2002-06-20 US disclosed
US-6399726-B1 USING COORDINATION CATALYSTS BAYER AKTIENGESELLSCHAFT (DE) 2002-06-04 US disclosed
US-6383971-B1 RARE EARTH METAL COMPOUNDS, CYCLOPENTADIENE AND ALUMOXANE BAYER AKTIENGESELLSCHAFT (DE) 2002-05-07 US disclosed
US-6350833-B1 CATALYTIC SUSPENSION POLYMERIZATION BAYER AKTIENGESELLSCHAFT (DE) 2002-02-26 US disclosed
US-6344527-B1 Method for the production of polydienes with regulated mooney viscosity BAYER AKTIENGESELLSCHAFT (DE) 2002-02-05 US disclosed
EP-1032603-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF DIENES, CATALYST OBTAINED THEREFROM, AND PROCESS FOR THE PREPARATION OF POLYDIENES USING THE SAME Montell Technology Company B.V. (NL) 2000-09-06 EP disclosed
WO-2000018812-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF DIENES, CATALYST OBTAINED THEREFROM, AND PROCESS FOR THE PREPARATION OF POLYDIENES USING THE SAME MONTELL TECHNOLOGY COMPANY BV (NL) 2000-04-06 WO disclosed
US-5914377-A Method for the production of diene rubbers in the gas phase BAYER AG (DE) 1999-06-22 US disclosed
US-5908904-A RARE EARTH COMPOUND; TRIALKYLALUMINUM, DIALKYLALUMINUM HYDRIDE OR ALUMOXANE; ANOTHER LEWIS ACID; INERT, PARTICULATE INORGANIC SOLID WITH A SPECIFIC SURFACE OF GREATER THAN 10 M.SUP.2 /G (BET) AND A PORE VOLUME OF 0.3 TO 15 ML/G. BAYER AG (DE) 1999-06-01 US disclosed
US-5877109-A Catalyst for the gas-phase polymerisation of conjugated dienes BAYER AG (DE) 1999-03-02 US disclosed
US-5858903-A POWDERED COORDINATION CATALYST OF AN ORGANIC RARE EARTH COMPOUND AND AN ORGANOALUMINUM COMPOUND; SOLVENT-FREE; POLLUTION CONTROL; POLYBUTADIENE AND POLYISOPRENE SYNTHETIC RUBBERS; TIRES BAYER AG (DE) 1999-01-12 US disclosed