SCHEMBL9549674

SCHEMBL9549674

CCCCP(CCCC)CCCC.CN(C)CCOP(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 9/20 0.50
LPAR1 Q92633 6/20 0.50
LPAR2 Q9HBW0 5/20 0.50
DNM1 Q05193 1/20 0.39
LPAR5 Q9H1C0 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CYP3A4 P08684 1/20 0.34
S1PR2 O95136 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34

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
SCHEMBL1642999 0.82 LPAR3 (0.46) LPAR3LPAR1LPAR2DNM1
SCHEMBL28355549 0.76 LPAR3 (0.75) LPAR3LPAR1LPAR2DNM1LPAR5
Phosphoric Acid Monododecyl Ester SCHEMBL28355225 0.76 LPAR3 (0.75) LPAR3LPAR1LPAR2DNM1LPAR5
SCHEMBL28359664 0.76 LPAR3 (0.75) LPAR3LPAR1LPAR2DNM1LPAR5
Hexadecyl Dihydrogen Phosphate SCHEMBL28355734 0.76 LPAR3 (0.75) LPAR3LPAR1LPAR2DNM1LPAR5
SCHEMBL28359738 0.76 LPAR3 (0.75) LPAR3LPAR1LPAR2DNM1LPAR5
SCHEMBL28355648 0.76 LPAR3 (0.75) LPAR3LPAR1LPAR2DNM1LPAR5
SCHEMBL28355722 0.76 LPAR3 (0.75) LPAR3LPAR1LPAR2DNM1LPAR5
SCHEMBL28359633 0.76 LPAR3 (0.75) LPAR3LPAR1LPAR2DNM1LPAR5
SCHEMBL15780701 0.75 LPAR3 (0.57) LPAR3LPAR1LPAR2LPAR5S1PR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5208317-A Molding materials of cured epoxy resins THE DOW CHEMICAL COMPANY (US) 1993-05-04 US disclosed
US-5109099-A ADVANCING EPOXY RESINS IN PRESENCE OF AMINO GROUP-CONTAINING PHOSPHONIUM CATALYST THE DOW CHEMICAL COMPANY (US) 1992-04-28 US disclosed
US-4981926-A Rapid and selective curing using phosphonium catalyst containing an amine group; polyepoxides THE DOW CHEMICAL COMPANY (US) 1991-01-01 US disclosed