SCHEMBL7869967

SCHEMBL7869967

O=C(O)C1C2C=CC(C2O)C1C(=O)OC(=O)C1C2C=CC(C2O)C1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
CTDSP1 Q9GZU7 1/20 0.34
APEX1 P27695 1/20 0.33

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
SCHEMBL2511575 0.89 POLB (0.50) POLBTDP1CTDSP1APEX1
SCHEMBL31453818 0.89 POLB (0.50) POLBTDP1CTDSP1APEX1
SCHEMBL17332189 0.81 POLB (0.43) POLBTDP1CTDSP1APEX1
SCHEMBL106105 0.72 POLB (0.65) POLBTDP1CTDSP1APEX1
SCHEMBL11395195 0.72 POLB (0.36) POLBTDP1
SCHEMBL5494856 0.71 POLB (0.48) POLBTDP1CTDSP1APEX1
SCHEMBL15645293 0.71 POLB (0.48) POLBTDP1CTDSP1APEX1
SCHEMBL15645762 0.71 POLB (0.48) POLBTDP1CTDSP1APEX1
SCHEMBL15645760 0.71 POLB (0.48) POLBTDP1CTDSP1APEX1
SCHEMBL4344019 0.70 POLB (0.35) POLBTDP1CTDSP1APEX1

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
US-6303744-B1 NOVEL DICARBOXYLIC ENDCAP SUCH AS 7-HYDROXY-5-NORBORNENE-2,3-DICARBOXYLIC ANHYDRIDE AND 7,7-DIFLOURO-5-NORBORNENE-2,3-DICARBOXYLIC ANHYDRIDE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION 2001-10-16 US claimed
US-6303744-B1 NOVEL DICARBOXYLIC ENDCAP SUCH AS 7-HYDROXY-5-NORBORNENE-2,3-DICARBOXYLIC ANHYDRIDE AND 7,7-DIFLOURO-5-NORBORNENE-2,3-DICARBOXYLIC ANHYDRIDE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION 2001-10-16 US disclosed
US-6274699-B1 ENDCAPPING WITH A ISOBENZOFURAN COMPOUND THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION 2001-08-14 US disclosed