SCHEMBL5079485

SCHEMBL5079485

O=C([O-])C1CCCCC1.O=C([O-])C1CCCCC1.O=C([O-])C1CCCCC1.[Nd+3]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
TSHR P16473 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA9 Q16790 4/20 0.44
HSD11B1 P28845 2/20 0.39
EPHX1 P07099 6/20 0.38
RECQL P46063 1/20 0.38
HSD11B2 P80365 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 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
SCHEMBL6935732 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL6908748 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL11608975 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL25267333 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL6908797 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL23530251 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL6914870 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL4439197 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL8374916 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL6913124 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5877109-A Catalyst for the gas-phase polymerisation of conjugated dienes BAYER AG (DE) 1999-03-02 US claimed
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
EP-0903357-B1 Synthesis of 1,4-trans-polybutadiene using a lanthanide organic acid salt catalyst BRIDGESTONE CORP (JP) 2004-01-28 EP 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
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-6018007-A POLYMERIZING BUTADIENE MONOMERS IN THE PRESENCE OF A CATALYST SYSTEM CONSISTING ESSENTIALLY OF: (A) AN ALKYLLITHIUM CATALYST; (B) AN ORGANIC ACID SALT OF LANTHANIDE SERIES ELEMENT; OPTIONALLY A DIETHYLZINC AND/OR A POLAR DILUENT BRIDGESTONE CORPORATION (JP) 2000-01-25 US disclosed
EP-0964008-A1 Organo zinc and rare earth catalyst system in the polymerization of conjugated dienes Bridgestone Corporation (JP) 1999-12-15 EP 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
EP-0903357-A1 Synthesis of 1,4-trans-polybutadiene using a lanthanide organic acid salt catalyst Bridgestone Corporation (JP) 1999-03-24 EP 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
US-4260707-A Solution polymerization of conjugated dienes BAYER AKTIENGESELLSCHAFT (DE) 1981-04-07 US disclosed
US-4242232-A Catalyst and its preparation and use for the solution polymerization of conjugated dienes BAYER AKTIENGESELLSCHAFT (DE) 1980-12-30 US disclosed