Dimpylate

Dimpylate

SCHEMBL1070720

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

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
TP53 P04637 1/20 0.57
CYP3A4 P08684 1/20 0.57
TSHR P16473 1/20 0.57
ACHE P22303 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 2/20 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
Pirimiphos-Ethyl SCHEMBL1276210 0.94 TDP1 (0.52) ALDH1A1TP53CYP3A4TSHRACHE
Dimpylate SCHEMBL9686820 0.89 ALDH1A1 (0.71) ALDH1A1TP53CYP3A4TSHRACHE
Dimpylate SCHEMBL5265454 0.89 ALDH1A1 (0.72) ALDH1A1TP53CYP3A4TSHRACHE
SCHEMBL5268310 0.81 ALDH1A1 (0.52) ALDH1A1TP53CYP3A4TSHRACHE
SCHEMBL118990 0.75 ALDH1A1 (0.58) ALDH1A1TP53CYP3A4TSHRACHE
Dimpylate SCHEMBL17453 0.75 ALDH1A1 (1.00) ALDH1A1TP53CYP3A4TSHRACHE
Dimpylate SCHEMBL6118696 0.75 ALDH1A1 (1.00) ALDH1A1TP53CYP3A4TSHRACHE
Dimpylate SCHEMBL6214077 0.74 ALDH1A1 (0.97) ALDH1A1TP53CYP3A4TSHRACHE
Dimpylate SCHEMBL3841005 0.74 ALDH1A1 (0.97) ALDH1A1TP53CYP3A4TSHRACHE
Dimpylate SCHEMBL6753267 0.74 ALDH1A1 (0.97) ALDH1A1TP53CYP3A4TSHRACHE

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-2268138-A2 SILICON DIOXIDE DISPERSION Evonik Degussa GmbH (DE) 2011-01-05 EP disclosed
WO-2009095141-A2 SILICON DIOXIDE DISPERSION EVONIK DEGUSSA GMBH (DE) 2009-08-06 WO disclosed