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Tebupirimfos

Tebupirimfos

SCHEMBL1275729

CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1.CCOP(=S)(OCC)Oc1cc(C)nc(N(C)C)n1.CCOP(=S)(OCC)Oc1cc(C)nc(N(CC)C(C)=O)n1.CCOP(=S)(Oc1cnc(C(C)(C)C)nc1)OC(C)C

nearest known ligand 0.49

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
Pirimiphos-Ethyl SCHEMBL5266465 0.86 TDP1 (0.66) TDP1ALDH1A1TP53CYP3A4TSHR
Pirimiphos Methyl SCHEMBL7081499 0.83 TDP1 (0.71) TDP1ALDH1A1TP53CYP3A4TSHR
Pirimiphos-Ethyl SCHEMBL1070835 0.82 TDP1 (0.55) TDP1ALDH1A1TP53CYP3A4TSHR
Pirimiphos-Ethyl SCHEMBL1276210 0.76 TDP1 (0.52) TDP1ALDH1A1TP53CYP3A4TSHR
SCHEMBL120557 0.76 TDP1 (0.69) TDP1ALDH1A1TP53CYP3A4TSHR
Pirimiphos-Ethyl SCHEMBL15347188 0.74 TDP1 (0.90) TDP1ALDH1A1TP53CYP3A4TSHR
SCHEMBL13598679 0.71 TDP1 (0.87) TDP1ALDH1A1TP53CYP3A4TSHR
Tebupirimfos SCHEMBL115556 0.71 ALDH1A1 (0.35) TDP1ALDH1A1TP53CYP3A4TSHR
Dimpylate SCHEMBL5265454 0.71 ALDH1A1 (0.72) TDP1ALDH1A1TP53CYP3A4TSHR
Pyrimitate SCHEMBL7870561 0.70 TDP1 (0.68) TDP1ALDH1A1TP53CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2285741-A2 SILICA DISPERSION Evonik Degussa GmbH (DE) 2011-02-23 — — EP disclosed
WO-2009095139-A2 SILICA DISPERSION EVONIK DEGUSSA GMBH (DE) 2009-08-06 — — WO disclosed