SCHEMBL9858628

SCHEMBL9858628

CC(O)C(=O)OC1(C)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.39
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 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
SCHEMBL14252112 0.85 CYP19A1 (0.40) CYP19A1
SCHEMBL12011313 0.85 CYP19A1 (0.40) CYP19A1
SCHEMBL9608658 0.85 CYP19A1 (0.40) CYP19A1
SCHEMBL11954350 0.85 CYP19A1 (0.40) CYP19A1
SCHEMBL26453100 0.83 CYP19A1 (0.38) CYP19A1
SCHEMBL9608662 0.83 CYP19A1 (0.38) CYP19A1
SCHEMBL1091466 0.82 CYP19A1 (0.38) CYP19A1
SCHEMBL9626949 0.82 CYP19A1 (0.38) CYP19A1
SCHEMBL26939404 0.80 CYP19A1 (0.37) CYP19A1
SCHEMBL15123612 0.79 CYP19A1 (0.36) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101456812-B Purification method of lactic acid ester NANJING HUASHI CHEMICAL CO LTD 2013-01-02 CN claimed
CN-101456812-A Purification method of lactic acid ester NANJING SINO LION CHEMICAL CO (CN) 2009-06-17 CN claimed
WO-2014154447-A1 EMULSIFIABLE CONCENTRATE COMPRISING PESTICIDE, ALKYL LACTATE AND FATTY AMIDE BASF SE (DE) 2014-10-02 WO disclosed
EP-0192885-B1 HALOGENATED BISPHENOL A ETHER FLAME RETARDANT FOR ABS POLYMERS GREAT LAKES CHEMICAL CORPORATION (US) 1991-03-13 EP disclosed
EP-0192885-A2 Halogenated bisphenol a ether flame retardant for ABS polymers GREAT LAKES CHEMICAL CORPORATION (US) 1986-09-03 EP disclosed
US-4258175-A BY REACTING A HALOGENATED DIPHENOXY COMPOUND AND AN ALKYLENE DIHALIDE; REACTING THE HALOARYETHER WITH A HALOGENATED PHENOL VELSICOL CHEMICAL CORPORATION (US) 1981-03-24 US disclosed