SCHEMBL7247759

SCHEMBL7247759

CCCCOC(C)CCO[C]=O

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.32
CYP3A4 P08684 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
SCHEMBL7248299 0.88 TDP1 (0.31)
SCHEMBL7250055 0.82 TDP1 (0.33) CYP3A4
SCHEMBL7249640 0.82 LMNA (0.35)
SCHEMBL2759865 0.77 ADRB2 (0.38) EPHX2CYP3A4
SCHEMBL17743229 0.77 ADRB2 (0.38) EPHX2CYP3A4
SCHEMBL20204695 0.77 ADRB2 (0.38) EPHX2CYP3A4
SCHEMBL11229962 0.77 EPHX2 (0.40) EPHX2CYP3A4
SCHEMBL5846 0.76
SCHEMBL7249905 0.76
SCHEMBL7247255 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602825-B1 Cyclization of an isocyanate with a thiourea and carbonic acid BASF AKTIENGESELLSCHAFT (DE) 2003-08-05 US disclosed
CN-1341105-A 1-aryl-1,3,5-triazine-4-thione-2,6-diones, production thereof and use thereof as herbicides BASF AG (DE) 2002-03-20 CN disclosed
EP-1157012-A1 1-ARYL-1,3,5-TRIAZINE-4-THIONE-2,6-DIONES, PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-11-28 EP disclosed
WO-2000050409-A1 1-ARYL-1,3,5-TRIAZINE-4-THIONE-2,6-DIONES, PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-08-31 WO disclosed