SCHEMBL2559966

SCHEMBL2559966

C=C(C)C(=O)N(C)C(C)(C)CCCP(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.35
TYMS P04818 1/20 0.34
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
LPAR3 Q9UBY5 3/20 0.32
LPAR2 Q9HBW0 1/20 0.32
BBOX1 O75936 2/20 0.32

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
SCHEMBL2556223 0.80
SCHEMBL2558793 0.77 GRM4 (0.35) GRM4TYMSS1PR2S1PR1S1PR3
SCHEMBL2556907 0.74 APP (0.31)
SCHEMBL27695565 0.71 S1PR2 (0.43) TYMSS1PR2S1PR1S1PR3S1PR5
SCHEMBL27695546 0.70 S1PR2 (0.46) TYMSS1PR2S1PR1S1PR3S1PR5
Phosphonic Acid SCHEMBL2559969 0.70
SCHEMBL1931016 0.70
SCHEMBL2558814 0.69
SCHEMBL813616 0.69 GRM4 (0.36) GRM4TYMSS1PR2S1PR1S1PR3
SCHEMBL27695629 0.68 S1PR2 (0.35) TYMSS1PR2S1PR1S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493598-B2 Polymers having acid and amide moieties, and uses thereof ISP INVESTMENTS LLC (US) 2016-11-15 US claimed
US-20130123147-A1 POLYMERS HAVING ACID AND AMIDE MOIETIES, AND USES THEREOF ISP INVESTMENTS INC. (US) 2013-05-16 US claimed
WO-2011130370-A1 POLYMERS HAVING ACID AND AMIDE MOIETIES, AND USES THEREOF ISP INVESTMENTS INC. (US) 2011-10-20 WO claimed
US-9493598-B2 Polymers having acid and amide moieties, and uses thereof ISP INVESTMENTS LLC (US) 2016-11-15 US disclosed
US-20130123147-A1 POLYMERS HAVING ACID AND AMIDE MOIETIES, AND USES THEREOF ISP INVESTMENTS INC. (US) 2013-05-16 US disclosed
WO-2011130370-A1 POLYMERS HAVING ACID AND AMIDE MOIETIES, AND USES THEREOF ISP INVESTMENTS INC. (US) 2011-10-20 WO disclosed