SCHEMBL6717613

SCHEMBL6717613

CCCCP(=O)(O)O.CCCCP(=O)(O)O.[Nd]

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 3/20 0.75
LPAR2 Q9HBW0 1/20 0.75
TYMS P04818 1/20 0.61
S1PR2 O95136 11/20 0.58
S1PR1 P21453 11/20 0.58
S1PR3 Q99500 11/20 0.58
S1PR4 O95977 9/20 0.58
S1PR5 Q9H228 2/20 0.58
GABBR2 O75899 1/20 0.52
GABRR1 P24046 1/20 0.52
GABBR1 Q9UBS5 1/20 0.52
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
NFKB1 P19838 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
BBOX1 O75936 1/20 0.50
FDPS P14324 1/20 0.50

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
SCHEMBL20140632 1.00
SCHEMBL59054 0.97
Hydrochloric Acid SCHEMBL2150508 0.94 LPAR3 (0.75) LPAR3LPAR2TYMSS1PR2S1PR1
Ammonia Solution, Strong SCHEMBL11876098 0.94 LPAR3 (0.75) LPAR3LPAR2TYMSS1PR2S1PR1
SCHEMBL28795547 0.94 LPAR3 (0.75) LPAR3LPAR2TYMSS1PR2S1PR1
Phosphoric Acid SCHEMBL23466792 0.94 LPAR3 (0.75) LPAR3LPAR2TYMSS1PR2S1PR1
SCHEMBL16816919 0.94
SCHEMBL17626425 0.94 LPAR3 (0.75) LPAR3LPAR2TYMSS1PR2S1PR1
SCHEMBL9583412 0.94
Ammonia Solution, Strong SCHEMBL11876105 0.94

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 5 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
US-20020183467-A1 Block copolymer based on conjugated diolefins and polar monomers ARLANXEO DEUTSCHLAND GMBH (DE) 2002-12-05 US disclosed