SCHEMBL7591963

SCHEMBL7591963

COC(C)(OC)C(=O)OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DGAT1 O75907 1/20 0.31
GAA P10253 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
Acetone SCHEMBL1092947 0.86 ALDH1A1 (0.33) ALDH1A1TSHRDGAT1
SCHEMBL28378729 0.86 DGAT1 (0.35) ALDH1A1TSHRDGAT1
SCHEMBL28378731 0.75 ALDH1A1 (0.33) ALDH1A1TSHRTDP1
SCHEMBL214755 0.75 ALDH1A1 (0.53) ALDH1A1TSHRHSD17B10TDP1GAA
SCHEMBL614248 0.75 DGAT1 (0.46) ALDH1A1TSHRDGAT1
SCHEMBL4316110 0.75 ALDH1A1 (0.53) ALDH1A1TSHRHSD17B10TDP1GAA
Methyl Alcohol SCHEMBL9630414 0.72 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10TDP1GAA
SCHEMBL21831923 0.72 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10TDP1GAA
SCHEMBL318619 0.71
SCHEMBL25283311 0.70 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10TDP1DGAT1

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-1026166-B1 Process for the preparation of folic acid BASF AG (DE) 2002-10-02 EP disclosed
US-6348593-B1 REACTING 2,2,3,3-TETRAALKOXYPROPANOL/1-/ WITH TRIAMINOPYRIMIIDONE AND P-AMINOBENZOYL-L-GLUTAMIC ACID; CYCLIZATION BASF AKTIENGESELLSCHAFT (DE) 2002-02-19 US disclosed
EP-1026166-A1 Process for the preparation of folic acid BASF AKTIENGESELLSCHAFT (DE) 2000-08-09 EP disclosed