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Sugi Predict / Compounds / SCHEMBL4627709

SCHEMBL4627709

SCHEMBL4627709

COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C(O)C2O)(c2ccccc2)c2ccc(OC(=O)OCC(C)c3ccccc3[N+](=O)[O-])cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 12/20 0.46
▸ P2RY2 P41231 1/20 0.36
▸ TK1 P04183 2/20 0.34
▸ TERT O14746 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
SCHEMBL4627707 0.89 TYMS (0.41) TYMP
SCHEMBL6891984 0.84 DNPH1 (0.38) P2RY2
SCHEMBL4627699 0.83 BCHE (0.39) TK1TERT
SCHEMBL13714472 0.83 TYMP (0.62) TYMPTK1
SCHEMBL15974161 0.83 TYMP (0.62) TYMPTK1
SCHEMBL9710318 0.83 TYMP (0.62) TYMPTK1
SCHEMBL3069438 0.83 TYMP (0.62) TYMPTK1
SCHEMBL3069436 0.83 TYMP (0.62) TYMPTK1
SCHEMBL13205014 0.83 TYMP (0.62) TYMPTK1
SCHEMBL6246850 0.83 TYMP (0.62) TYMPTK1

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-1401851-B8 TWO-STAGE PROTECTIVE GROUPS FOR THE SYNTHESIS OF BIOPOLYMERS FEBIT HOLDING GMBH (DE) 2008-09-10 — — EP disclosed
EP-1401851-B1 TWO-STAGE PROTECTIVE GROUPS FOR THE SYNTHESIS OF BIOPOLYMERS FEBIT BIOTECH GMBH (DE) 2008-07-02 — — EP disclosed
EP-1401851-A1 TWO-STAGE PROTECTIVE GROUPS FOR THE SYNTHESIS OF BIOPOLYMERS Febit AG (DE) 2004-03-31 — — EP disclosed
WO-2003004510-A1 TWO-STAGE PROTECTIVE GROUPS FOR THE SYNTHESIS OF BIOPOLYMERS FEBIT AG (DE) 2003-01-16 — — WO disclosed