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Pirimiphos-Ethyl

Pirimiphos-Ethyl

SCHEMBL1276210

CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1.CCOP(=S)(OCC)Oc1cc(C)nc(N(CC)CC)n1.CCOP(=S)(OCC)Oc1cnc(C(C)(C)C)nc1.CCOc1cc(OP(=S)(OC)OC)nc(C(C)C)n1.CCOc1cc(OP(=S)(OC)OC)nc(CC)n1

nearest known ligand 0.52

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ ACHE P22303 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50

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
Dimpylate SCHEMBL1070720 0.94 ALDH1A1 (0.57) TDP1ALDH1A1TP53CYP3A4TSHR
Dimpylate SCHEMBL9686820 0.84 ALDH1A1 (0.71) TDP1ALDH1A1TP53CYP3A4TSHR
Dimpylate SCHEMBL5265454 0.83 ALDH1A1 (0.72) TDP1ALDH1A1TP53CYP3A4TSHR
Pirimiphos-Ethyl SCHEMBL1070835 0.77 TDP1 (0.55) TDP1ALDH1A1TP53CYP3A4TSHR
Tebupirimfos SCHEMBL1275729 0.76 TDP1 (0.49) TDP1ALDH1A1TP53CYP3A4TSHR
SCHEMBL5268310 0.76 ALDH1A1 (0.52) TDP1ALDH1A1TP53CYP3A4TSHR
Pirimiphos-Ethyl SCHEMBL15347188 0.76 TDP1 (0.90) TDP1ALDH1A1TP53CYP3A4TSHR
SCHEMBL13598679 0.73 TDP1 (0.87) TDP1ALDH1A1TP53CYP3A4TSHR
Pirimiphos-Ethyl SCHEMBL7869678 0.72 TDP1 (1.00) TDP1ALDH1A1TP53CYP3A4TSHR
Pirimiphos-Ethyl SCHEMBL29413995 0.72 TDP1 (1.00) 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