SCHEMBL7794262

SCHEMBL7794262

C=C(C)C(=O)OCC(O)Cc1ccc(C(=O)O)c(C(=O)O)c1CC(O)COC(=O)C(=C)C

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL6363482 0.81 TSHR (0.36) TSHR
SCHEMBL28711621 0.81 POLB (0.36) POLBAPEX1HTTTDP1
SCHEMBL23140729 0.79 TSHR (0.39) TSHRPOLBAPEX1HTTTDP1
SCHEMBL815209 0.79 POLB (0.38) TSHRPOLBAPEX1HTTTDP1
SCHEMBL815210 0.79 POLB (0.38) TSHRPOLBAPEX1HTTTDP1
SCHEMBL10414804 0.78 ALDH1A1 (0.31) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17868786 0.77 TSHR (0.38) TSHRPOLBAPEX1HTTTDP1
SCHEMBL11216168 0.77 ADRB2 (0.35) TSHRPOLBAPEX1HTTTDP1
SCHEMBL472203 0.75 POLB (0.38) TSHRPOLBAPEX1HTTTDP1
SCHEMBL2237265 0.74 POLB (0.42) TSHRPOLBAPEX1HTTTDP1

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-0710475-B1 High refractive index and/or radio-opaque resins systems ABONETICS LTD (GB) 2001-11-21 EP disclosed
US-5679710-A DENTAL COMPOSITES LONDON HOSPITAL MEDICAL COLLEGE (GB) 1997-10-21 US disclosed
EP-0710475-A1 High refractive index and/or radio-opaque resins systems THE LONDON HOSPITAL MEDICAL COLLEGE (GB) 1996-05-08 EP disclosed