SCHEMBL5024280

SCHEMBL5024280

CC(O)CC(C)CO.CCC(CO)(CO)CO

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.38
TRPA1 O75762 2/20 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
Propylene Glycol SCHEMBL1596054 0.84 TDP1 (0.56) TSHRTDP1
SCHEMBL98817 0.81
Propylene Glycol SCHEMBL6000233 0.79 TDP1 (0.50) TSHRTDP1
SCHEMBL9720320 0.76 TDP1 (0.50) TSHRTDP1TRPA1
Propylene Glycol SCHEMBL6536510 0.76 TDP1 (0.46) TSHRTDP1
SCHEMBL10793983 0.75 TSHR (0.35) TSHRTDP1
Hydrogen Sulfide SCHEMBL28095800 0.75 TSHR (0.39) TSHRTDP1
Hydrogen Sulfide SCHEMBL28105620 0.75 TSHR (0.39) TSHRTDP1
Propylene Glycol SCHEMBL9229109 0.74 TDP1 (0.43) TSHRTDP1
E968 SCHEMBL23673754 0.74 LMNA (0.38) TSHRTDP1

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-1546228-B1 COATING COMPOSITION COMPRISING A COMPOUND COMPRISING A SPIRO-ORTHO SILICATE GROUP AKZO NOBEL COATINGS INT BV (NL) 2008-04-23 EP disclosed
US-7015298-B2 Coating composition comprising a compound comprising a spiro-ortho silicate group AKZO NOBEL N.V. (NL) 2006-03-21 US disclosed
EP-1546228-A1 COATING COMPOSITION COMPRISING A COMPOUND COMPRISING A SPIRO-ORTHO SILICATE GROUP Akzo Nobel Coatings International BV (NL) 2005-06-29 EP disclosed
US-20040122203-A1 Coating composition comprising a compound comprising a spiro-ortho silicate group AKZO NOBEL N.V. (NL) 2004-06-24 US disclosed
WO-2004031256-A1 COATING COMPOSITION COMPRISING A COMPOUND COMPRISING A SPIRO-ORTHO SILICATE GROUP AKZO NOBEL COATINGS INTERNATIONAL B.V. (NL) 2004-04-15 WO disclosed