SCHEMBL6450262

SCHEMBL6450262

C=C(C)C(=O)OCCO.C=CCC(O)C(=C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
TSHR P16473 4/20 0.37
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 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
Methacrylic Acid SCHEMBL11132733 0.81 CYP2C19 (0.35)
Methacrylic Acid SCHEMBL9453862 0.78 THRB (0.53) THRBTSHRPOLBAPEX1HTT
Methacrylic Acid SCHEMBL467445 0.78 THRB (0.53) THRBTSHRPOLBAPEX1HTT
SCHEMBL31199 0.78 CYP2C19 (0.39)
SCHEMBL902141 0.78 CYP2C19 (0.39)
Methacrylic Acid SCHEMBL7174132 0.77 THRB (0.43) THRBTSHRPOLBAPEX1HTT
Methacrylic Acid SCHEMBL3448070 0.77 TSHR (0.47) THRBTSHRPOLBAPEX1HTT
SCHEMBL731704 0.77 TDP1 (0.43) TDP1
Acrylic Acid SCHEMBL3447729 0.76 TSHR (0.50) THRBTSHRPOLBAPEX1HTT
Acrylic Acid SCHEMBL27980474 0.76 TSHR (0.50) THRBTSHRPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080209-A1 Continuous production of crosslinked polymer nanoparticles BLANKENSHIP ROBERT MITCHELL (US) 2005-04-14 US disclosed