SCHEMBL4608715

SCHEMBL4608715

N#CCCC(CP(=O)(O)O)P(=O)(O)O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.33
TSHR P16473 1/20 0.33
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
FOLH1 Q04609 3/20 0.31
NAALAD2 Q9Y3Q0 1/20 0.31

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
Butane SCHEMBL7717185 0.78 FDPS (0.43) TSHR
Butane SCHEMBL7718936 0.78 FDPS (0.39) TSHR
SCHEMBL9473060 0.75 FDPS (0.48) SLC1A2TSHR
SCHEMBL2787248 0.72 GABBR2 (0.46) GABBR2GABBR1FOLH1NAALAD2
SCHEMBL2846673 0.72 GABBR2 (0.37) GABBR2GABBR1FOLH1NAALAD2
SCHEMBL19212031 0.72 ENPEP (0.43) GABBR2GABBR1FOLH1NAALAD2
Butane SCHEMBL7718840 0.70 FDPS (0.32) TSHR
SCHEMBL10939327 0.70 GABBR2 (0.43) GABBR2GABBR1FOLH1NAALAD2
SCHEMBL11355334 0.67
Butane SCHEMBL7716020 0.67 FDPS (0.40) TSHRGABBR2GABBR1

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
EP-0930347-B1 RUST-PREVENTIVE PIGMENT COMPOSITION AND RUST-PREVENTIVE PAINTS CONTAINING THE SAME NIPPON CHEMICAL IND COMPANY LT (JP) 2008-10-08 EP disclosed
US-6139616-A Rust-preventive pigment composition and rust-preventive paints containing the same NIPPON CHEMICAL INDUSTRIAL CO., LTD (JP) 2000-10-31 US disclosed
EP-0930347-A1 RUST-PREVENTIVE PIGMENT COMPOSITION AND RUST-PREVENTIVE PAINTS CONTAINING THE SAME NIPPON CHEMICAL INDUSTRIAL COMPANY LIMITED (JP) 1999-07-21 EP disclosed
US-4966630-A Anticorrosive pigment composition and an anticorrosive coating composition containing the same TAYCA CORPORATION (JP) 1990-10-30 US disclosed
EP-0389653-A1 An anticorrosive pigment composition and an anticorrosive coating composition containing the same TAYCA CORPORATION (JP) 1990-10-03 EP disclosed