SCHEMBL6554204

SCHEMBL6554204

O=C(O)Oc1cccc2c3c(cc(OC(=O)O)c12)OC(=O)OC(=O)O3

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TYMS P04818 6/20 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
SCHEMBL6555259 0.78 ALDH1A1 (0.36)
SCHEMBL2467663 0.74
SCHEMBL8026253 0.71 TYMS (0.35) TYMS
SCHEMBL9649801 0.70 GAA (0.43) TYMS
SCHEMBL14777967 0.70 KMT2A (0.35)
SCHEMBL3644053 0.70 TYMS (0.35) TYMS
SCHEMBL11127773 0.69 ADORA3 (0.40) TYMS
SCHEMBL6554200 0.68
SCHEMBL9351775 0.68 MAPK1 (0.43) TYMS
SCHEMBL8596874 0.67 CFD (0.38)

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
EP-1124893-B1 POLYISOCYANATE POLYADDITION PRODUCTS BASF AG (DE) 2004-12-22 EP disclosed
EP-1117718-B1 PROCESS FOR THE PREPARATION OF FOAMED POLYISOCYANATE-POLYADDITION PRODUCTS OR POLYURETHANE ELASTOMERS USING MIXTURES CONTAINING ISOCYANATES AS WELL AS ORGANIC AND/OR INORGANIC ACID ANHYDRIDES BASF AG (DE) 2003-10-01 EP disclosed
EP-1124893-A1 POLYISOCYANATE POLYADDITION PRODUCTS BASF AKTIENGESELLSCHAFT (DE) 2001-08-22 EP disclosed
WO-2001000721-A1 POLYISOCYANATE POLYADDITION PRODUCTS BASF AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed