SCHEMBL17967232

SCHEMBL17967232

O=C(O)C=CC(O)(O)CCCC(C=CC(=O)O)(C=CC(=O)O)C=CC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.32
TBXAS1 P24557 1/20 0.32

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
SCHEMBL173867 0.79 TSHR (0.38) TSHRTP53EGLN1EGLN3TBXAS1
SCHEMBL1448072 0.76 ACHE (0.30)
SCHEMBL16927487 0.76 TSHR (0.36) TSHRTP53EGLN1EGLN3
SCHEMBL1566718 0.75 ACLY (0.43) TSHRTBXAS1
SCHEMBL9498842 0.75 ACLY (0.43) TSHRTBXAS1
SCHEMBL9496952 0.75 ACLY (0.43) TSHRTBXAS1
SCHEMBL10626186 0.75 ACLY (0.43) TSHRTBXAS1
SCHEMBL17100109 0.74 ABCC4 (0.35) TSHRTP53EGLN1EGLN3
Fluoride SCHEMBL6910839 0.73 ACLY (0.42) TSHRTBXAS1
SCHEMBL8859521 0.73 TSHR (0.38) TSHRTP53EGLN1EGLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180037495-A1 ANTI-REFLECTION COATING AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-02-08 US disclosed
WO-2016126210-A1 ANTI-REFLECTION COATING AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-08-11 WO disclosed