SCHEMBL6712852

SCHEMBL6712852

CCCCC(CC)CO.[Pr]

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.95
LMNA P02545 2/20 0.61
TDP1 Q9NUW8 2/20 0.54
CYP3A4 P08684 5/20 0.52
TSHR P16473 4/20 0.52
CA2 P00918 5/20 0.48
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 1/20 0.39
CA1 P00915 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL6249719 0.97 ALDH1A1 (1.00) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL8420801 0.97
SCHEMBL16324 0.97
SCHEMBL9492501 0.97
SCHEMBL23087843 0.95 ALDH1A1 (0.95) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL10822529 0.95 ALDH1A1 (0.95) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL22664580 0.95 ALDH1A1 (0.95) ALDH1A1LMNATDP1CYP3A4TSHR
Butane SCHEMBL21384927 0.95 ALDH1A1 (0.95) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL9417630 0.95 ALDH1A1 (0.95) ALDH1A1LMNATDP1CYP3A4TSHR
Hydrochloric Acid SCHEMBL2539033 0.95 ALDH1A1 (0.95) ALDH1A1LMNATDP1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1427854-A Method for polymerizing conjugated diolefins (dienes) with catalysts of rare earths in presence of vinyl aromatic solvents BAYER AG (DE) 2003-07-02 CN 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
CN-1351618-A Method for producing thermoplastic molding materials using rubber solutions BAYER AG (DE) 2002-05-29 CN disclosed
CN-1350560-A Method for producing thermoplastic molding material using rubber solutions BAYER AG (DE) 2002-05-22 CN 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
CN-1309674-A Polymerization of Conjugated Dienes Using Rare Earth Catalysts in the Presence of Vinyl Aromatic Solvents BAYER AG (DE) 2001-08-22 CN disclosed
CN-1286703-A Catalyst components for polymerization of dienes, catalyst obtained therefrom, and process for preparation of polydienes using same MONTELL TECHNOLOGY COMPANY BV (NL) 2001-03-07 CN 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-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