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Dimpylate

Dimpylate

SCHEMBL7173553

C#CCC1=C(C)[C@@H](OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O.CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ LMNA P02545 2/20 0.33
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
Allethrin SCHEMBL7175265 0.91 TSHR (0.46) TSHRALDH1A1TP53CYP3A4ACHE
Chlorpyrifos SCHEMBL7174685 0.83 TDP1 (0.44) TSHRALDH1A1CYP3A4HSD17B10LMNA
Dimpylate SCHEMBL7173538 0.79 TSHR (0.50) TSHRALDH1A1TP53CYP3A4ACHE
SCHEMBL25223 0.78 LMNA (0.46) TSHRCYP3A4LMNACYP1A2CYP2C19
SCHEMBL6707098 0.78 LMNA (0.46) TSHRCYP3A4LMNACYP1A2CYP2C19
SCHEMBL24702741 0.78 LMNA (0.46) TSHRCYP3A4LMNACYP1A2CYP2C19
SCHEMBL4454464 0.78 LMNA (0.46) TSHRCYP3A4LMNACYP1A2CYP2C19
SCHEMBL8645484 0.78 LMNA (0.46) TSHRCYP3A4LMNACYP1A2CYP2C19
SCHEMBL21881764 0.78 LMNA (0.46) TSHRCYP3A4LMNACYP1A2CYP2C19
SCHEMBL2976330 0.78 LMNA (0.46) TSHRCYP3A4LMNACYP1A2CYP2C19

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-1322166-A2 SEED TREATMENT WITH COMBINATIONS OF INSECTICIDES Monsanto Technology LLP (US) 2003-07-02 — — EP disclosed
WO-2002028186-A2 SEED TREATMENT WITH COMBINATIONS OF INSECTICIDES MONSANTO TECHNOLOGY, LLC (US) 2002-04-11 — — WO disclosed