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Pirimiphos-Ethyl

Pirimiphos-Ethyl

SCHEMBL5266465

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)(OCC)Oc1cc(C)nc(N(CC)CC)n1

nearest known ligand 0.66

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Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.66
▸ TSHR P16473 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HTT P42858 1/20 0.30
▸ POLQ O75417 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
Pirimiphos Methyl SCHEMBL7081499 0.96 TDP1 (0.71) TDP1TSHRALDH1A1TP53CYP3A4
Pirimiphos-Ethyl SCHEMBL1070835 0.91 TDP1 (0.55) TDP1TSHRALDH1A1TP53CYP3A4
SCHEMBL120557 0.88 TDP1 (0.69) TDP1TSHRALDH1A1TP53CYP3A4
Tebupirimfos SCHEMBL1275729 0.86 TDP1 (0.49) TDP1TSHRALDH1A1TP53CYP3A4
Pirimiphos-Ethyl SCHEMBL15347188 0.86 TDP1 (0.90) TDP1TSHRALDH1A1TP53CYP3A4
SCHEMBL13598679 0.82 TDP1 (0.87) TDP1TSHRALDH1A1TP53CYP3A4
Pyrimitate SCHEMBL7870561 0.81 TDP1 (0.68) TDP1TSHRALDH1A1TP53CYP3A4
Pirimiphos-Ethyl SCHEMBL29413995 0.81 TDP1 (1.00) TDP1TSHRALDH1A1TP53CYP3A4
Pirimiphos-Ethyl SCHEMBL7869678 0.81 TDP1 (1.00) TDP1TSHRALDH1A1TP53CYP3A4
Pirimiphos-Ethyl SCHEMBL74180 0.81 TDP1 (1.00) TDP1TSHRALDH1A1TP53CYP3A4

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-1765072-A1 USE OF PHOSPHATED ALCANOLS AS DISPERSANTS, EMULSIFIERS, HYDROTROPES, WETTING AGENTS AND COMPATABILITY AGENTS IN AGRICULTURAL COMPOSITIONS Akzo Nobel N.V. (NL) 2007-03-28 — — EP disclosed
WO-2006019772-A1 USE OF PHOSPHATED ALCANOLS AS DISPERSANTS, EMULSIFIERS, HYDROTROPES, WETTING AGENTS AND COMPATABILITY AGENTS IN AGRICULTURAL COMPOSITIONS AKZO NOBEL N.V. (NL) 2006-02-23 — — WO disclosed