SCHEMBL5022754

SCHEMBL5022754

O=C(O)CCNCCNC(CC(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.38
RIMKLA Q8IXN7 1/20 0.38
NAALAD2 Q9Y3Q0 1/20 0.38
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
GNPAT O15228 1/20 0.33
GGH Q92820 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MME P08473 1/20 0.33
GGT1 P19440 1/20 0.33

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
SCHEMBL31435019 0.92 CA2 (0.41) FOLH1RIMKLANAALAD2CA2CA4
SCHEMBL3937150 0.92 CA2 (0.41) FOLH1RIMKLANAALAD2CA2CA4
SCHEMBL3841887 0.92 CA2 (0.41) FOLH1RIMKLANAALAD2CA2CA4
SCHEMBL7054962 0.92 CA2 (0.41) FOLH1RIMKLANAALAD2CA2CA4
SCHEMBL5014950 0.89 FOLH1 (0.36) FOLH1RIMKLANAALAD2CA2CA4
SCHEMBL23248621 0.89 CA2 (0.37) FOLH1RIMKLANAALAD2CA2CA4
SCHEMBL8935945 0.89 CA2 (0.37) FOLH1RIMKLANAALAD2CA2CA4
SCHEMBL1311432 0.88 FOLH1 (0.43) FOLH1RIMKLANAALAD2CA2CA4
SCHEMBL2129341 0.88 FOLH1 (0.43) FOLH1RIMKLANAALAD2CA2CA4
SCHEMBL4862378 0.88 FOLH1 (0.43) FOLH1RIMKLANAALAD2CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130109823-A1 POLYMERS HAVING CHELATING FUNCTIONALITY ROHM AND HAAS COMPANY (US) 2013-05-02 US disclosed
US-20080115423-A1 Polishing Composition For Silicon Wafer NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-05-22 US disclosed
EP-0871695-A2 POLYAMINO MONOSUCCINIC ACID DERIVATIVE DEGRADABLE CHELANTS, USES AND COMPOSITIONS THEREOF THE DOW CHEMICAL COMPANY (US) 1998-10-21 EP disclosed
WO-1997008287-A2 POLYAMINO MONOSUCCINIC ACID DERIVATIVE DEGRADABLE CHELANTS, USES AND COMPOSITIONS THEREOF THE DOW CHEMICAL COMPANY (US) 1997-03-06 WO disclosed