SCHEMBL5045285

SCHEMBL5045285

CCCCC(C)C(C)OCC1CO1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.32
ENPP2 Q13822 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
THRB P10828 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
SCHEMBL27461063 0.81 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL27374658 0.80 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TDP1TSHRTHRB
Water SCHEMBL28874655 0.80 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL1700173 0.79 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL3458576 0.78 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL5360247 0.78 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2TDP1TSHR
SCHEMBL28195784 0.77 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL10364525 0.76 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL28439636 0.76 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL29215983 0.76 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1

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-1401972-B1 PIGMENT PASTE AKZO NOBEL COATINGS INT BV (NL) 2008-06-11 EP disclosed
US-6787598-B2 INCLUDING A BRANCHED ALKYD; ALKYD RESINS ALLOW HIGH PIGMENT CONTENTS, WHILE THE SOLVENT CONTENT CAN BE KEPT VERY LOW TO MIX PAINTS COMPLYING WITH VOLATILE ORGANIC COMPOUND (VOC) REGULATIONS AKZO NOBEL N.V. (NL) 2004-09-07 US disclosed
EP-1401972-A1 PIGMENT PASTE Akzo Nobel Coatings International B.V. (NL) 2004-03-31 EP disclosed
US-20020193471-A1 Including a branched alkyd; alkyd resins allow high pigment contents, while the solvent content can be kept very low to mix paints complying with volatile organic compound (VOC) regulations AKZO NOBEL N.V. (NL) 2002-12-19 US disclosed
WO-2002096997-A1 PIGMENT PASTE AKZO NOBEL COATINGS INTERNATIONAL B.V. (NL) 2002-12-05 WO disclosed