SCHEMBL2833459

SCHEMBL2833459

Cc1c(CP2(=O)OCC(C)(C)CO2)c(C)c(CP2(=O)OCC(C)(C)CO2)c(C)c1CP1(=O)OCC(C)(C)CO1

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL1990845 0.76 CYP1A2 (0.33) CYP1A2CYP3A4GAACYP2C9CYP2C19
SCHEMBL1986100 0.73 ALDH1A1 (0.39) CYP1A2CYP3A4GAACYP2C9CYP2C19
SCHEMBL11149674 0.72 GAA (0.34) CYP1A2CYP3A4GAACYP2C9CYP2C19
SCHEMBL823008 0.72 CYP1A2 (0.31) CYP1A2CYP3A4GAACYP2C9CYP2C19
SCHEMBL1987772 0.71 CYP1A2 (0.30) CYP1A2CYP3A4GAACYP2C9CYP2C19
SCHEMBL12904834 0.70
SCHEMBL8763913 0.70 EPHX1 (0.32)
SCHEMBL8676487 0.70
SCHEMBL13816574 0.68
SCHEMBL22115892 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254943-A2 IGNITION RESISTANT CARBONATE POLYMER COMPOSITION CONTAINING AN AROMATIC PHOSPHONATE Dow Global Technologies Inc. (US) 2010-12-01 EP disclosed
US-20100298475-A1 IGNITION RESISTANT CARBONATE POLYMER COMPOSITION CONTAINING AN AROMATIC PHOSPHONATE TRINSEO EUROPE GMBH (CH) 2010-11-25 US disclosed
US-20100298475-A1 IGNITION RESISTANT CARBONATE POLYMER COMPOSITION CONTAINING AN AROMATIC PHOSPHONATE TRINSEO EUROPE GMBH (CH) 2010-11-25 US disclosed
US-20100298475-A1 IGNITION RESISTANT CARBONATE POLYMER COMPOSITION CONTAINING AN AROMATIC PHOSPHONATE TRINSEO EUROPE GMBH (CH) 2010-11-25 US disclosed
WO-2009094241-A2 IGNITION RESISTANT CARBONATE POLYMER COMPOSITION CONTAINING AN AROMATIC PHOSPHONATE DOW GLOBAL TECHNOLOGIES INC. (US) 2009-07-30 WO disclosed