SCHEMBL6863765

SCHEMBL6863765

O=C(O)CC(OC(=O)C(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.36
FOLH1 Q04609 2/20 0.33
ALOX15 P16050 1/20 0.32
GABRR1 P24046 2/20 0.31
LMNA P02545 2/20 0.31
REN P00797 1/20 0.30
ACE P12821 1/20 0.30

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
SCHEMBL5404107 0.82 ALOX15 (0.38) TDP1SMN1; SMN2SLC22A6FOLH1ALOX15
SCHEMBL2048611 0.80 TDP1 (0.36) TDP1SMN1; SMN2SLC22A6FOLH1
SCHEMBL8812874 0.80 TDP1 (0.43) TDP1SMN1; SMN2SLC22A6FOLH1ALOX15
SCHEMBL6008457 0.79 EGLN1 (0.39) TDP1SMN1; SMN2SLC22A6FOLH1LMNA
SCHEMBL1828772 0.79 ALOX15 (0.36) TDP1SMN1; SMN2SLC22A6ALOX15LMNA
SCHEMBL895686 0.79 TSHR (0.39) TDP1SMN1; SMN2SLC22A6ALOX15LMNA
Bicarbonate SCHEMBL6393528 0.78 TDP1 (0.42) TDP1SMN1; SMN2SLC22A6FOLH1ALOX15
SCHEMBL11094949 0.77 ALOX15 (0.35) TDP1SMN1; SMN2SLC22A6ALOX15
SCHEMBL1361863 0.77 TDP1 (0.33) TDP1SMN1; SMN2SLC22A6
Ammonia Solution, Strong SCHEMBL18140150 0.77 TSHR (0.38) TDP1SMN1; SMN2SLC22A6ALOX15LMNA

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-6800218-B2 Abrasive free formulations for chemical mechanical polishing of copper and associated materials and method of using same ADVANCED TECHNOLOGY MATERIALS, INC. 2004-10-05 US claimed
US-5980924-A IMPREGNATED SHEET WITH AN AQUEOUS COMPOSITION CONTAINING A NONIONIC SURFACTANT AND A POLYHYDRIC ALCOHOL OR GLYCOL ETHER; TO SMEAR AND REMOVE MAKEUP AND SEBUM, LOW IRRITATIVENESS TO THE SKIN KAO CORPORATION (JP) 1999-11-09 US claimed
US-4026711-A TETRAKIS(HYDROXYMETHYL)PHOSPHONIUM PHOSPHATE-CARBOXYLATE, UREA AMERICAN CYANAMID COMPANY (US) 1977-05-31 US claimed