SCHEMBL4751906

SCHEMBL4751906

CCCCOC(C)(O)CC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.33
CES1 P23141 1/20 0.32
LPAR3 Q9UBY5 3/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR2 Q9HBW0 2/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL4939579 0.91 LPAR3 (0.43) TSHRCES1LPAR3LPAR1LPAR2
SCHEMBL4751585 0.84
SCHEMBL10397171 0.83 TSHR (0.36) TSHRADRB2ADRB1ADRB3ALDH1A1
SCHEMBL1836600 0.83 TSHR (0.41) TSHRADRB2ADRB1ADRB3ALDH1A1
SCHEMBL20500069 0.80 LPAR3 (0.49) ALDH1A1LPAR3LPAR1LPAR2
SCHEMBL20500071 0.80 LPAR3 (0.49) ALDH1A1LPAR3LPAR1LPAR2
SCHEMBL31195333 0.79 TSHR (0.40) TSHRADRB2ADRB1ADRB3ALDH1A1
SCHEMBL434225 0.79
SCHEMBL7212323 0.77 TSHR (0.39) TSHRADRB2ADRB1ADRB3ALDH1A1
SCHEMBL20597461 0.77 TSHR (0.39) TSHRADRB2ADRB1ADRB3ALDH1A1

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
WO-2008135801-A2 ADJUSTABLE FUEL POWER BOOSTER COMPONENT COMPOSITION ARAYA BRENES MARIO (CR) 2008-11-13 WO disclosed
US-20070204506-A1 ADJUSTABLE FUEL POWER BOOSTER COMPONENT COMPOSITION BRENES MARIO A 2007-09-06 US disclosed
US-20070130822-A1 ALCOHOL BASED FUEL AND/OR BIOFUEL COMPOSITION ARAYA MARIO 2007-06-14 US disclosed
WO-2006051424-A9 ALCOHOL BASED FUEL AND/OR BIOFUEL COMPOSITION ARAYA BRENES MARIO (CR) 2006-08-24 WO disclosed
WO-2006051424-A1 ALCOHOL BASED FUEL AND/OR BIOFUEL COMPOSITION ARAYA BRENES MARIO (CR) 2006-05-18 WO disclosed