SCHEMBL3363683

SCHEMBL3363683

C=C(CCC1CO1)C(=O)O.C=C(CCC1CO1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.32
TET2 Q6N021 3/20 0.31
TET3 O43151 1/20 0.31
TET1 Q8NFU7 1/20 0.31
GRIK1 P39086 1/20 0.30
GRIK2 Q13002 1/20 0.30
GRM1 Q13255 1/20 0.30
GRM2 Q14416 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL20081 1.00 ALDH1A1 (0.37) ALDH1A1HTTTET2TET3TET1
SCHEMBL4537923 1.00 ALDH1A1 (0.37) ALDH1A1HTTTET2TET3TET1
Ethylene SCHEMBL5031590 0.98 ALDH1A1 (0.36) ALDH1A1HTTTET2TET3TET1
Acetic Acid SCHEMBL4871178 0.94 ALDH1A1 (0.42) ALDH1A1TET2
Methacrylic Acid SCHEMBL3621202 0.92 ALDH1A1 (0.44) ALDH1A1
SCHEMBL4192797 0.92 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8512431 0.91 ALDH1A1 (0.36) ALDH1A1
SCHEMBL1515004 0.91 ALDH1A1 (0.38) ALDH1A1
SCHEMBL7574985 0.89 TSHR (0.41) ALDH1A1ALOX15HSD17B10
SCHEMBL475005 0.88 ALDH1A1 (0.38) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139947-B1 POLYESTER COMPOSITIONS, METHOD OF MANUFACTURE, AND USES THEREOF SABIC INNOVATIVE PLASTICS IP (NL) 2010-10-06 EP claimed
US-7510769-B2 Laminate film NIPPON BEE CHEMICAL CO., LTD. (JP) 2009-03-31 US disclosed
US-20050202266-A1 Laminate film NIPPON PAINT AUTOMOTIVE COATINGS CO., LTD (JP) 2005-09-15 US disclosed